data_1f96_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 1f96 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.623 0.249 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -96.07 136.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 121.126 0.489 . . . . 0.0 111.93 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -95.66 146.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.675 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -137.33 -44.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.517 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.3 m120 -110.15 49.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.754 0.312 . . . . 0.0 111.305 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.87 124.99 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -161.55 52.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 ttm -170.01 157.52 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.3 m -43.1 140.82 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.48 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.5 mt-10 -52.88 -48.87 66.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.682 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.38 -43.08 88.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.23 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.5 mtt -60.8 -51.27 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.039 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 16.0 pt20 -62.37 -39.08 92.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.07 -41.0 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.54 -36.88 81.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.682 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.8 t -67.79 -44.22 77.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.006 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.53 -47.49 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.86 -43.67 78.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.984 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.64 -32.32 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.386 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -68.73 -38.57 80.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.72 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -59.68 -47.73 84.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.93 -39.72 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.872 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' CB ' HG12 ' A' ' 38' ' ' ILE . . . -55.64 -45.42 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.128 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 50.6 mt -61.67 -48.95 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.54 -32.74 74.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.466 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.69 -33.76 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.2 m-85 -123.98 -46.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t30 65.06 43.6 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.383 . . . . 0.0 110.626 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.511 ' O ' HG13 ' A' ' 38' ' ' ILE . 40.6 mm -148.07 131.0 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 24.2 pt-20 -52.66 -49.11 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.117 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 17.0 ttpp -66.26 -54.67 22.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.99 -48.23 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.44 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 34' ' ' ILE . 72.1 mt -53.67 -48.98 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.025 0.44 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -64.49 -32.1 73.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.32 14.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -62.83 -49.05 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -178.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 60.0 mt -60.88 -42.87 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.638 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -56.84 -52.32 65.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.905 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.87 -45.34 90.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' OE1' ' CE1' ' A' ' 41' ' ' HIS . 57.4 mt-10 -56.47 -48.07 77.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -65.45 -39.49 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.48 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -62.69 -38.57 90.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.995 0.426 . . . . 0.0 110.843 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 4.2 tmtt? -70.7 -40.0 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -82.78 -55.94 4.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -87.59 -18.28 30.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 42.8 t30 96.63 138.26 0.03 OUTLIER Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 123.381 0.425 . . . . 0.0 110.277 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -56.72 166.59 3.62 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.797 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.489 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -120.42 123.46 43.08 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.829 0.452 . . . . 0.0 110.995 0.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.572 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 20.8 m95 -94.59 133.51 38.15 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.179 0.514 . . . . 0.0 111.955 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.487 ' HD1' HG11 ' B' ' 66' ' ' VAL . 21.2 m-70 -106.82 133.92 50.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.3 t -135.25 139.57 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.444 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.468 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 2.6 mp -139.92 143.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.38 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -151.51 139.21 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.474 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.97 -131.28 2.0 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.167 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.4 ptt180 -178.35 37.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 111.367 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 170.62 79.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.205 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 3.4 p90 -168.28 133.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -96.71 143.43 16.73 Favored Glycine 0 N--CA 1.452 -0.243 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -160.61 154.44 22.62 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -136.52 137.18 40.03 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 114.127 -1.397 . . . . 0.0 109.375 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 7.1 t -155.78 159.12 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.589 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 86.1 m -108.85 155.15 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 22.5 p80 -167.63 146.54 4.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.314 0.578 . . . . 0.0 112.311 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.09 154.93 21.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.4 p -56.77 145.74 28.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.792 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 6.9 mmpt? 64.84 14.31 9.12 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.691 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.472 ' CE1' ' HE3' ' A' ' 87' ' ' LYS . 46.0 m170 -122.43 58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.39 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.45 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 23.3 t80 -158.45 139.69 13.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 0.0 111.558 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.5 tt -159.85 139.53 3.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.372 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 3.8 t80 -144.19 138.56 28.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.654 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.4 p90 -167.99 138.94 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.964 0.411 . . . . 0.0 111.487 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 7.7 m-85 -80.12 145.37 32.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.74 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 60.1 tp -170.24 145.29 2.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.281 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.13 40.71 84.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.394 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 54.24 36.29 24.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.6 m -158.44 134.4 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.89 130.59 42.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -112.77 138.28 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.9 tp -134.22 139.12 45.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.9 tp -154.97 136.75 14.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 3.2 p90 -175.15 127.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.392 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.3 pttt -95.56 170.37 9.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.152 0.501 . . . . 0.0 111.814 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.795 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.753 0.311 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.2 m -95.31 136.28 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 111.681 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -81.65 148.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.254 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -137.73 -41.23 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.352 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.431 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 76.9 m-20 -126.34 52.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.17 137.01 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.321 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -178.71 62.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.5 ttm -175.81 158.97 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.727 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.1 m -44.69 140.76 2.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 50.4 mt-10 -51.53 -47.8 63.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.723 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.6 pt-20 -57.82 -44.51 86.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.561 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 61.2 mtt -63.98 -46.11 86.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.153 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 16.7 pt20 -66.76 -39.28 87.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.501 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.5 pt20 -72.9 -35.98 67.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.22 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.504 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.3 t0 -69.33 -37.04 77.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.556 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 59.7 m -67.72 -42.88 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.231 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.55 -47.2 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.655 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -68.34 -43.4 77.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.74 -34.96 78.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.894 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.02 -40.03 72.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.314 0.578 . . . . 0.0 109.538 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -58.86 -45.93 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.275 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.6 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 99.1 mm-40 -59.18 -48.02 83.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.608 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.515 ' HA ' ' CE ' ' B' ' 31' ' ' LYS . . . -46.95 -43.85 19.48 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.999 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.424 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 50.8 mt -65.16 -42.21 93.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.8 -37.32 85.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.775 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.607 ' HG3' ' HD1' ' B' ' 32' ' ' TYR . 44.3 pttt -86.56 -34.77 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.612 ' CE1' ' CE1' ' B' ' 41' ' ' HIS . 55.5 m-85 -118.26 -45.6 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.999 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 49.6 t30 65.57 43.53 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.904 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.507 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -147.97 121.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.34 -44.85 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.06 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.4 ttpm? -59.16 -56.13 26.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 111.226 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.451 ' HB3' ' CE1' ' B' ' 41' ' ' HIS . 55.3 m-20 -61.61 -39.48 91.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.721 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 34' ' ' ILE . 95.9 mt -47.45 -49.14 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 111.225 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.591 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.43 89.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 0.0 111.623 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.612 ' CE1' ' CE1' ' B' ' 32' ' ' TYR . 5.4 m-70 -64.19 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.34 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.435 HG21 ' CE1' ' B' ' 46' ' ' PHE . 63.7 mt -59.01 -36.61 63.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.623 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.84 -59.46 5.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.81 -41.3 87.74 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 51.6 mm-40 -54.64 -48.46 72.24 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.435 ' CE1' HG21 ' B' ' 42' ' ' ILE . 7.9 m-85 -72.69 -45.01 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -32.76 67.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 110.623 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -75.77 -46.11 32.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.1 -59.04 2.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.547 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.0 m-85 -84.51 -13.39 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.547 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 4.8 m120 88.83 141.21 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.388 0 C-N-CA 122.546 0.339 . . . . 0.0 110.134 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.451 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -60.01 172.67 2.2 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.428 2.086 . . . . 0.0 112.736 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 9.9 t -117.18 112.33 20.69 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 122.881 0.472 . . . . 0.0 111.301 0.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.691 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.4 m95 -88.58 122.88 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.033 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' B' ' 85' ' ' LEU . 32.4 m-70 -96.6 140.05 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.2 t -136.69 144.23 43.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.472 0.653 . . . . 0.0 112.501 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.451 HG23 ' CE1' ' B' ' 62' ' ' PHE . 31.3 mm -137.59 141.8 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.587 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 47.2 t -154.59 135.44 4.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.857 0.36 . . . . 0.0 111.457 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.57 -142.74 6.29 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.838 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 63.1 mtm-85 -160.48 28.7 0.16 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.543 0.211 . . . . 0.0 111.46 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 35.0 t30 167.33 82.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 28.3 p90 -165.51 136.88 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -89.59 137.4 14.07 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.8 m -137.42 148.88 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.719 0.759 . . . . 0.0 112.729 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 2.4 t80 -148.23 131.78 16.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.253 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 45.2 t -158.68 165.82 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.12 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 93.1 m -116.39 150.35 37.9 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 25.5 p80 -166.06 142.37 5.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 112.038 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.36 154.56 35.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.791 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 42.5 p -57.77 152.68 15.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.794 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 43.9 mmtm 65.87 38.3 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.214 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 83.2 m-70 -164.82 69.55 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.05 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.491 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 1.9 t80 -165.45 125.35 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.396 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' B' ' 18' ' ' GLN . 13.4 tt -150.81 141.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.2 0.524 . . . . 0.0 111.543 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.431 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 48.9 t80 -147.17 139.14 24.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.65 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 8.4 p90 -167.06 139.07 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.065 0.459 . . . . 0.0 111.756 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 8.1 m-85 -82.58 148.25 28.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.433 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.457 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 57.2 tp -169.92 143.92 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.324 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.83 41.41 83.53 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.566 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 80' ' ' GLN . 50.9 tt0 56.24 35.71 26.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.581 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.47 HG11 ' HD3' ' B' ' 60' ' ' ARG . 29.0 m -158.01 132.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -76.58 137.56 39.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.487 HD13 ' N ' ' B' ' 83' ' ' ILE . 4.4 mp -125.09 140.64 47.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.648 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 63.8 tp -132.32 144.36 50.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' B' ' 55' ' ' HIS . 56.7 tp -159.27 138.53 11.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.491 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.6 p90 -177.4 129.74 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.203 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.691 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.7 ptpt -78.98 162.65 25.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.4 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.416 ' O ' HG21 ' B' ' 53' ' ' THR . 51.0 m -143.51 134.38 25.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.94 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.527 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -155.03 135.7 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.517 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -78.74 121.52 24.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.04 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 66' ' ' VAL . 14.5 t -72.41 142.79 48.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.105 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.65 135.11 7.51 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 pt -154.43 170.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 111.577 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.488 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 21.9 pt20 -163.52 69.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.168 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.462 179.634 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.0 p-10 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.482 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 15.2 t -76.72 140.09 40.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.92 135.73 7.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.546 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.4 pt -156.1 170.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -159.14 74.97 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.577 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.0 t -69.28 144.7 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.417 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.9 p30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.875 0.369 . . . . 0.0 111.825 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -88.7 137.92 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.116 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.444 HG12 ' CB ' ' A' ' 11' ' ' ALA . 9.2 tp -84.17 141.65 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.594 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.744 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -117.17 -32.08 5.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.555 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -155.03 59.73 0.66 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.452 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.444 ' CB ' HG12 ' A' ' 8' ' ' ILE . . . -56.62 142.15 40.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.356 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -175.47 52.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.652 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 97.4 mtp -156.02 145.19 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.688 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -46.06 147.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.21 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.419 ' OE1' ' NE2' ' A' ' 18' ' ' GLN . 5.4 mm-40 -42.72 -39.5 2.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.46 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.5 pt-20 -69.48 -44.42 71.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.022 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.474 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 66.0 mtt -62.05 -47.82 83.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.423 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' NE2' ' OE1' ' A' ' 15' ' ' GLU . 16.9 pt20 -63.86 -38.53 91.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.532 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 19.0 pt20 -71.21 -40.78 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.676 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -37.45 83.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.828 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -67.92 -45.44 74.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.898 0.38 . . . . 0.0 110.264 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.51 -44.98 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.561 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.38 -34.05 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -70.08 -38.65 75.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 109.922 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.6 m -60.92 -45.13 95.88 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.18 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 85.9 mt-30 -59.37 -45.2 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.175 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . . . -54.42 -42.77 70.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.206 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 48.6 mt -61.67 -48.1 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.609 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 10.5 pt-20 -67.42 -28.29 67.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.101 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.677 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.01 -21.16 27.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.677 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 25.9 m-85 -145.51 -45.64 0.21 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.543 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' TYR . 49.6 t30 68.99 45.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 38' ' ' ILE . 54.8 mt -137.16 126.01 35.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.625 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -45.06 -47.56 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.082 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -68.06 -52.84 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 111.253 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.424 ' HB3' ' NE2' ' A' ' 41' ' ' HIS . 1.3 m-20 -56.19 -41.91 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.39 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 34' ' ' ILE . 93.4 mt -50.67 -44.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.98 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.41 83.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.532 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -66.8 -46.17 76.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.675 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.562 ' CE1' ' CE1' ' A' ' 32' ' ' TYR . 7.8 m-70 -63.9 -54.01 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.156 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.433 HG23 ' CE2' ' A' ' 46' ' ' PHE . 60.6 mt -60.41 -46.51 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.108 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' B' ' 65' ' ' TYR . 12.5 tmtt? -56.42 -53.34 58.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.535 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.01 -46.27 91.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 41' ' ' HIS . 51.4 mt-10 -55.95 -46.0 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.683 0.277 . . . . 0.0 111.429 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.519 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 23.1 m-85 -73.42 -44.55 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -57.83 -35.75 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.241 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -82.95 -39.65 21.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 111.187 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -79.54 -64.33 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.5 m-85 -83.27 -18.65 38.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 63.7 m-20 93.62 143.73 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.398 0 C-N-CA 122.74 0.416 . . . . 0.0 110.125 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.432 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.5 Cg_endo -58.41 169.87 2.78 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.595 2.197 . . . . 0.0 112.867 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 14.1 t -115.18 117.41 30.45 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 122.526 0.33 . . . . 0.0 111.21 0.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.603 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 23.3 m95 -95.28 131.1 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.385 0.612 . . . . 0.0 111.95 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 31.6 m-70 -110.83 138.99 46.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.091 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 52.4 t -139.01 153.39 48.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.559 0.695 . . . . 0.0 112.639 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.422 HD11 HG22 ' A' ' 57' ' ' ILE . 58.9 mt -149.89 146.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.559 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -154.65 136.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.45 . . . . 0.0 111.112 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.36 -135.24 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -174.19 35.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.561 0.22 . . . . 0.0 111.356 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 165.46 81.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.818 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.476 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 18.4 p90 -166.18 139.05 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.21 146.48 18.21 Favored Glycine 0 C--N 1.33 0.215 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.5 t -159.68 154.26 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' B' ' 36' ' ' LYS . 17.0 m-85 -135.57 139.79 44.16 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 114.303 -1.317 . . . . 0.0 109.752 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 21.7 t -157.73 159.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.019 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.41 ' H ' HG13 ' A' ' 66' ' ' VAL . 92.7 m -119.47 144.51 46.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -160.95 145.55 13.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.389 . . . . 0.0 111.727 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.4 pt-20 -61.99 154.44 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.452 ' CG2' ' HE2' ' C' ' 2' ' ' LYS . 74.3 p -56.25 147.75 20.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.884 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 60.09 37.31 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.998 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 53.6 m80 -150.25 54.77 0.92 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.637 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 8.7 t80 -165.36 140.36 5.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.312 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 tt -155.93 133.72 2.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -137.81 133.94 34.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.563 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 7.4 p90 -165.62 143.99 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 62.6 m-85 -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.826 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 27.3 tp -156.33 134.78 11.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.438 . . . . 0.0 111.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 67.15 -66.64 0.22 Allowed Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 39.1 tt0 178.9 37.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 32.5 m -160.41 137.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.995 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -72.26 136.43 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.06 135.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.5 tp -131.42 142.25 49.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' A' ' 46' ' ' PHE . 56.6 tp -160.1 143.46 13.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.637 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 21.2 p90 -179.57 131.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.603 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -95.89 149.29 21.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.41 ' O ' HG21 ' A' ' 53' ' ' THR . 47.5 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.668 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.602 0.239 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 33.3 m -87.79 134.96 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.995 0.426 . . . . 0.0 111.519 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.7 mp -91.03 144.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -139.55 -42.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.495 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 4.5 m120 -115.62 51.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.73 132.53 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.654 0.264 . . . . 0.0 110.564 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 2.2 m-20 -153.0 53.08 0.76 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.415 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.406 ' HG3' ' HG3' ' B' ' 18' ' ' GLN . 20.5 ptp -176.54 -174.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.9 m -65.08 143.14 58.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.453 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -51.95 -40.68 61.22 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.7 pt-20 -59.51 -43.25 93.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.768 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 76.7 mtp -65.29 -42.88 92.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.406 ' HG3' ' HG3' ' B' ' 13' ' ' MET . 54.5 mt-30 -66.93 -44.21 81.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.4 pt20 -69.3 -33.83 73.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.52 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.2 t0 -66.5 -40.37 89.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.507 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -68.42 -41.99 79.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.908 0.385 . . . . 0.0 110.127 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.92 -45.45 91.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.73 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -67.87 -43.6 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.029 0.442 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.34 -39.88 88.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.35 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.53 80.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.277 0.561 . . . . 0.0 109.548 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.0 m -59.87 -44.26 94.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.298 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -59.68 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.178 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.74 -40.73 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.455 ' HA ' ' HA ' ' B' ' 33' ' ' ASN . 64.1 mt -64.07 -49.6 71.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.28 -32.17 69.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.0 mttt -80.77 -25.13 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.613 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 44.8 m-85 -145.04 -43.98 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.438 -0.505 . . . . 0.0 112.258 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 23.7 t-20 70.48 54.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.5 ' O ' HG13 ' B' ' 38' ' ' ILE . 41.6 mm -145.79 124.96 5.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -49.63 -47.46 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.593 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 36.7 ttpt -59.71 -58.63 7.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -53.0 -42.8 65.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 34' ' ' ILE . 96.7 mt -51.71 -46.36 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.389 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.414 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -62.35 -41.21 98.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.812 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -45.85 90.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.573 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 64.2 m-70 -66.68 -51.32 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.713 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.425 ' CG2' HD23 ' B' ' 85' ' ' LEU . 50.1 mt -64.79 -43.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 111.258 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.47 -57.89 10.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.762 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' B' ' 44' ' ' LYS . 10.5 mtmp? -58.08 -44.27 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 39.3 tt0 -57.29 -45.28 84.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -72.66 -39.31 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.32 . . . . 0.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 64.7 m-20 -61.15 -40.41 93.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -72.17 -39.6 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.103 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 94.4 mttt -84.29 -70.19 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 7.7 m-30 -73.96 -21.14 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.9 t30 96.56 141.82 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.568 0 C-N-CA 122.672 0.389 . . . . 0.0 110.347 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.424 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 50.5 Cg_exo -56.52 171.28 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.411 2.074 . . . . 0.0 112.75 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 9.1 t -118.55 106.08 12.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.38 0.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.758 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.2 m95 -84.56 122.26 28.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.345 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.419 ' CE1' HG22 ' B' ' 53' ' ' THR . 30.5 m-70 -99.06 136.31 39.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.942 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.0 t -132.26 150.11 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 0.0 112.065 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.506 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 36.6 mt -147.92 142.0 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.224 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -149.02 132.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.97 -134.86 2.42 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 28.0 ttm180 -173.95 39.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.605 0.241 . . . . 0.0 111.028 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.55 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 166.37 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.5 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.506 ' CE2' ' CG2' ' B' ' 57' ' ' ILE . 32.4 p90 -173.24 132.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.63 135.35 13.7 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.417 ' HB2' HD11 ' D' ' 6' ' ' ILE . 47.1 m -128.32 141.41 51.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.49 0.645 . . . . 0.0 112.621 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 43' ' ' LYS . 4.2 t80 -144.1 125.75 15.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.719 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 22.6 t -157.21 170.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.192 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.6 m -116.0 147.38 41.27 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.422 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.9 p80 -161.86 141.0 9.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.408 . . . . 0.0 111.629 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.408 ' OE2' ' CE1' ' B' ' 72' ' ' HIS . 12.6 pt-20 -66.44 154.75 39.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.243 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -57.23 150.57 17.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.9 mmpt? 65.9 34.73 7.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.408 ' CE1' ' OE2' ' B' ' 69' ' ' GLU . 62.5 m80 -158.71 69.29 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.572 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 32.5 t80 -169.6 137.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.405 HD11 HG22 ' B' ' 74' ' ' ILE . 10.8 tt -156.42 142.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.212 0.53 . . . . 0.0 111.876 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.495 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 41.0 t80 -142.16 139.59 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.391 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.8 p90 -170.03 140.71 2.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 112.166 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.422 ' HB2' ' CG2' ' B' ' 7' ' ' VAL . 60.5 m-85 -80.59 149.64 29.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.317 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.473 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 53.1 tp -169.96 139.96 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.16 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.86 39.95 70.22 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 56.7 37.36 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 35.3 m -156.81 135.79 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.011 0.434 . . . . 0.0 110.853 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.74 135.91 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.581 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 55.2 mt -125.09 140.01 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.399 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 57.3 tp -140.91 145.34 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.425 HD23 ' CG2' ' B' ' 42' ' ' ILE . 50.9 tp -158.49 143.17 16.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.062 0.458 . . . . 0.0 111.429 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.572 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 12.8 p90 -179.21 134.57 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.758 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -83.06 170.0 15.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.045 0.45 . . . . 0.0 111.604 -179.244 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.6 t -146.35 135.04 22.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.985 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.522 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 81.5 mtp . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' C' ' 2' ' ' LYS . 0.0 OUTLIER -72.75 129.36 38.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.506 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -75.69 109.75 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.239 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 12.1 t -73.27 136.29 44.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.18 134.29 7.65 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.248 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 pt -151.1 170.05 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.955 0.407 . . . . 0.0 111.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.486 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.9 pt20 -160.03 69.79 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.809 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' PHE . 47.3 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.824 0.345 . . . . 0.0 110.982 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.62 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.2 p-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.888 0.375 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.477 ' N ' ' O ' ' B' ' 66' ' ' VAL . 12.8 t -75.41 144.42 42.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.432 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -146.21 123.86 1.92 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.366 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.7 pp -160.37 145.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.31 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 22.4 pt20 -123.57 100.51 6.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.102 0.477 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 52.1 t -78.41 137.57 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.011 0.434 . . . . 0.0 110.861 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 8.5 m -85.63 137.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 112.007 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.463 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -80.53 136.96 22.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.454 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -115.72 -32.49 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -155.47 52.8 0.6 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.86 0.362 . . . . 0.0 111.463 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 8' ' ' ILE . . . -55.71 146.52 20.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 9.2 t70 -167.61 71.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.407 . . . . 0.0 111.147 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.415 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 60.2 mtt -157.16 -166.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.3 p -88.31 38.52 0.86 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 65.51 -58.83 0.29 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.99 -38.83 80.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.278 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.415 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 60.4 mtt -60.13 -51.46 69.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' HA ' HD12 ' A' ' 74' ' ' ILE . 14.3 pt20 -60.56 -39.76 89.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -64.33 -42.09 96.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.979 0.418 . . . . 0.0 110.244 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.407 ' OD1' ' CZ ' ' A' ' 46' ' ' PHE . 7.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.575 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.2 m -67.71 -43.99 78.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.086 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.74 -46.68 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.372 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.0 -42.29 85.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.72 -37.95 87.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.865 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.64 84.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.336 0.588 . . . . 0.0 109.429 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.2 m -60.38 -43.66 96.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.067 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -58.89 -45.97 88.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.117 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . . . -54.17 -44.09 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.963 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 59.0 mt -60.51 -48.41 81.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.32 -33.51 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.312 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 57.3 mtpt -77.38 -31.76 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.42 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.545 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 4.2 m-85 -138.79 -49.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.951 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 32' ' ' TYR . 50.2 t30 78.57 45.37 0.06 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.415 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 38' ' ' ILE . 2.4 mp -135.59 130.07 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.122 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.18 -46.76 62.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.926 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -65.89 -53.91 33.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.846 0.355 . . . . 0.0 111.499 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' OD2' ' HB ' ' A' ' 34' ' ' ILE . 59.6 m-20 -54.58 -42.04 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.503 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 34' ' ' ILE . 89.8 mt -52.46 -42.69 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.056 0.455 . . . . 0.0 110.481 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.93 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.253 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.12 -47.03 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 32' ' ' TYR . 26.7 m-70 -60.9 -51.58 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 111.506 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.9 mt -60.88 -43.51 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HD3' ' CE1' ' B' ' 65' ' ' TYR . 62.3 tttm -57.85 -51.63 68.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.6 -47.63 84.83 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 67.9 mm-40 -56.31 -47.85 77.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 111.533 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CZ ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-85 -71.42 -40.31 70.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.633 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 53.0 m-20 -57.89 -36.01 71.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.023 0.439 . . . . 0.0 110.579 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.77 -39.6 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.488 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 28.0 mtpp -81.32 -61.22 2.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.524 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 5.3 m-85 -85.96 -21.25 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 26.7 t-20 95.18 137.83 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.75 0.42 . . . . 0.0 110.217 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 11.9 Cg_endo -54.95 169.71 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.632 2.221 . . . . 0.0 112.513 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.9 t -116.12 116.62 28.18 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 122.962 0.505 . . . . 0.0 111.219 0.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.715 ' CG ' ' HB3' ' A' ' 87' ' ' LYS . 22.0 m95 -93.13 129.96 38.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.441 ' HD1' HG11 ' B' ' 66' ' ' VAL . 38.9 m-70 -98.16 135.93 39.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.235 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.7 m -123.98 147.82 47.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.297 0.57 . . . . 0.0 112.304 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.431 HD12 HG21 ' A' ' 57' ' ' ILE . 57.9 mt -151.27 143.54 16.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.298 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -156.8 135.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.43 -137.07 2.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.692 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 7.3 ptm180 -179.01 41.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.191 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.458 ' HA ' ' O ' ' C' ' 8' ' ' VAL . 9.4 m-20 162.12 82.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.064 0.545 . . . . 0.0 109.817 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.528 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 14.7 p90 -173.07 137.14 0.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.552 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -100.57 139.64 14.5 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.7 m -157.31 149.59 22.82 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.43 ' HB3' ' CD ' ' B' ' 43' ' ' LYS . 19.4 m-85 -124.61 140.56 52.82 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.14 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 27.9 t -156.87 162.46 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 CA-C-O 120.527 0.203 . . . . 0.0 111.381 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.4 m -115.83 155.89 27.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 73' ' ' PHE . 23.7 p80 -166.95 140.35 3.7 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.819 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 25.0 pt-20 -64.28 150.26 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.626 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -56.78 150.96 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.425 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 34.6 mmtp 64.26 37.19 8.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.788 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 84.2 m-70 -164.43 54.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.709 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.533 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 34.7 t80 -152.61 141.33 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.953 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 18' ' ' GLN . 6.5 tt -165.01 145.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.312 0.577 . . . . 0.0 111.962 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -148.97 135.07 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.815 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.1 p90 -166.93 135.89 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.448 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 57.1 m-85 -74.54 143.7 44.38 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.552 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 79' ' ' GLY . 6.0 tt -169.25 142.42 2.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 110.989 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.411 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 56.52 41.07 88.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.431 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 55.61 35.43 25.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 m -158.33 135.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.78 135.57 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.268 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.437 HD12 HG22 ' A' ' 83' ' ' ILE . 58.4 mt -121.02 137.89 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.9 tp -139.95 140.7 36.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.2 tp -154.22 145.48 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.533 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 11.7 p90 178.75 132.62 0.08 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.715 ' HB3' ' CG ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -102.28 170.35 8.13 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.561 ' HB3' ' HG2' ' A' ' 69' ' ' GLU . 35.7 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 29.3 m -99.94 138.88 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.736 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.6 mp -81.2 155.27 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.838 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.404 ' HB2' ' CD2' ' B' ' 75' ' ' TYR . 31.8 mmmt -142.28 -39.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -147.12 49.79 1.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.015 0.436 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.65 145.8 38.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.405 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.436 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 63.7 t0 -161.05 56.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 110.459 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.525 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 61.7 mtt -160.51 157.24 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.74 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.2 m -56.13 148.81 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.334 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.79 -41.37 4.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.818 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.88 -39.41 93.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.525 ' HB2' ' HB3' ' B' ' 13' ' ' MET . 67.4 mtt -67.44 -47.73 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' B' ' 13' ' ' MET . 42.4 mt-30 -64.93 -42.73 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.174 0.511 . . . . 0.0 110.137 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.59 -41.34 84.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.432 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 38.2 t70 -68.93 -36.53 78.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.414 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -68.03 -44.32 76.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.998 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.65 -45.96 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.6 -43.3 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.44 -37.41 87.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.1 80.5 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -60.47 -42.97 97.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.212 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.434 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 40.0 tt0 -59.46 -44.95 92.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.354 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.51 -42.37 78.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.782 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.421 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 54.1 mt -61.27 -48.83 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.497 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.36 -32.09 72.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.598 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' NZ ' ' B' ' 31' ' ' LYS . 9.5 mtpm? -81.64 -26.11 35.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.844 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.535 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 54.3 m-85 -145.32 -45.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.283 -0.567 . . . . 0.0 112.384 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.5 t30 69.16 51.54 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.961 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.538 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.5 mt -136.96 129.64 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.712 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -51.79 -52.03 51.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.172 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.36 -56.01 19.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 0.0 111.755 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.6 -45.83 70.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.15 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 34' ' ' ILE . 93.7 mt -49.58 -44.46 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.79 0.328 . . . . 0.0 111.419 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.29 81.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.484 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.423 ' CB ' ' CE2' ' A' ' 65' ' ' TYR . . . -64.37 -47.15 80.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.835 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 19.6 m-70 -62.81 -50.29 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.356 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 56.8 mt -68.22 -40.03 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.755 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.43 ' CD ' ' HB3' ' A' ' 65' ' ' TYR . 60.2 tttm -60.32 -58.48 8.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -68.72 -39.24 80.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.827 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.02 -53.64 47.17 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.464 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.5 m-85 -71.37 -44.03 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.476 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.9 t0 -54.56 -37.34 65.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.448 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -76.66 -49.65 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.788 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -74.39 -70.24 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.264 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.552 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.7 m-30 -68.14 -17.33 64.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.023 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.552 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 3.8 m120 94.24 146.4 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.441 0 C-N-CA 122.837 0.455 . . . . 0.0 110.417 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.425 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 29.0 Cg_endo -62.9 167.75 11.59 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.445 2.097 . . . . 0.0 112.52 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 9.8 t -112.86 133.21 54.95 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.776 0.43 . . . . 0.0 110.474 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.533 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 33.8 m95 -109.09 135.9 49.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.447 0.642 . . . . 0.0 112.627 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.483 ' HB2' ' CZ ' ' B' ' 86' ' ' PHE . 13.7 m-70 -115.43 137.37 52.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.604 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.8 t -136.81 154.34 50.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.46 0.648 . . . . 0.0 112.58 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.432 HG23 ' CZ ' ' B' ' 62' ' ' PHE . 54.3 mt -148.98 142.51 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.809 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -151.26 132.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 111.162 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.42 -131.48 2.14 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.284 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 38.6 ptt85 -177.02 37.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 14.1 t-20 177.39 76.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.528 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 10.1 p90 -162.89 138.5 6.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.524 0.678 . . . . 0.0 112.398 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -115.36 137.0 13.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 61.2 m -154.27 148.8 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.461 ' CE1' ' HD3' ' A' ' 43' ' ' LYS . 2.7 t80 -120.17 132.64 55.46 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.242 -1.345 . . . . 0.0 107.782 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.441 HG11 ' HD1' ' A' ' 55' ' ' HIS . 20.1 t -154.35 167.19 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 91.1 m -124.04 143.79 50.23 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -159.39 146.43 16.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 112.122 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.408 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 16.7 tp10 -58.29 151.97 18.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.193 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 44.7 p -53.12 146.25 11.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.179 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' B' ' 71' ' ' LYS . 11.8 mptt 61.03 17.58 8.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.111 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.458 ' CE1' ' HE3' ' B' ' 87' ' ' LYS . 33.7 m170 -122.13 68.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.488 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 9.3 t80 179.41 146.43 0.2 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.935 0.397 . . . . 0.0 111.429 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.486 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 10.9 tt -162.48 133.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.404 ' CD2' ' HB2' ' B' ' 9' ' ' LYS . 37.2 t80 -130.02 132.22 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.575 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' B' ' 76' ' ' PHE . 1.1 p90 -166.57 134.67 2.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -73.1 147.25 45.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.872 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.423 ' HB2' ' HB1' ' B' ' 6' ' ' ALA . 52.0 tp -170.44 140.4 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.32 41.74 80.63 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.577 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 54.78 36.54 26.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 26.8 m -157.37 133.51 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.788 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 125.62 27.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.508 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' B' ' 78' ' ' LEU . 54.2 mt -105.71 143.8 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.503 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 65.6 tp -143.63 143.27 31.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.912 0.387 . . . . 0.0 111.19 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 56.1 tp -157.11 141.47 16.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.296 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 8.7 p90 -173.63 129.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.533 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 56.1 pttt -100.87 170.46 8.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.099 0.476 . . . . 0.0 111.416 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -145.33 140.51 27.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.524 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.692 0.282 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -159.64 150.51 19.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 47.5 p-10 -74.15 124.03 25.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.562 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' VAL . 11.9 t -76.46 132.8 39.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.445 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.401 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -124.87 124.0 5.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.612 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.1 pp -161.94 155.36 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.552 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 27.3 pt20 -146.54 117.71 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.359 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 40.2 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.895 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 38.3 p30 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.935 0.397 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.435 ' OG1' ' CE2' ' B' ' 73' ' ' PHE . 15.4 t -89.24 149.58 23.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.22 129.05 2.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.935 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' D' ' 6' ' ' ILE . 2.3 pp -160.49 143.84 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.164 0.507 . . . . 0.0 112.313 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.453 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.2 pt20 -119.96 84.87 2.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.553 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' B' ' 62' ' ' PHE . 47.2 t -69.41 143.55 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.702 0.287 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.9 m -82.23 136.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.143 0.497 . . . . 0.0 111.938 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -90.19 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.683 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -136.39 -43.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.57 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.447 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 4.1 m120 -123.44 46.29 2.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.77 0.319 . . . . 0.0 111.568 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.08 141.44 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.745 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -169.64 54.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.757 0.313 . . . . 0.0 111.606 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.5 ptp -171.42 -175.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 111.223 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.7 m -55.27 151.21 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.403 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 8.7 mp0 -65.0 -43.98 90.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.314 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.57 -42.4 98.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.94 -51.15 71.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 111.182 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 14.1 pt20 -60.64 -39.86 89.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.28 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -67.25 -41.22 85.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.862 0.363 . . . . 0.0 110.804 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -64.78 -39.88 94.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.63 -44.55 81.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.87 0.367 . . . . 0.0 110.253 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.427 HG23 ' CE2' ' A' ' 76' ' ' PHE . 60.5 t -64.6 -44.43 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.8 -46.43 78.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.529 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -65.91 -31.25 72.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -70.48 -39.88 73.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.176 0.513 . . . . 0.0 109.781 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.4 m -59.75 -49.58 77.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.378 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 71.8 mt-30 -57.93 -47.06 84.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 38' ' ' ILE . . . -45.69 -43.42 12.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.745 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.4 -46.9 86.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.119 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.025 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 60.5 mmtt -80.37 -36.71 33.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.579 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -134.56 -40.71 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 67.69 46.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.993 0.425 . . . . 0.0 110.345 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 38' ' ' ILE . 47.3 mm -148.09 124.28 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.725 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -48.28 -44.98 34.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.907 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -62.43 -58.24 8.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.647 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.65 -47.02 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.73 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 34' ' ' ILE . 66.7 mt -54.57 -52.07 44.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.14 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.916 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.97 -55.98 10.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -65.06 -48.7 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 -178.707 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.479 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 52.3 mt -58.04 -42.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.654 0.264 . . . . 0.0 111.105 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.445 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -60.22 -46.29 90.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.662 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 60.8 mttp -68.22 -48.59 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.9 mt-10 -56.19 -46.74 79.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.685 0.278 . . . . 0.0 111.634 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CE1' HG21 ' A' ' 42' ' ' ILE . 11.0 m-85 -66.75 -42.85 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.662 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.0 p30 -66.74 -29.96 70.06 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -75.55 -43.47 48.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.2 mtpt -78.59 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 2.7 m-85 -85.29 -15.22 44.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.385 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.516 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 94.07 139.84 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.551 0 O-C-N 123.46 0.475 . . . . 0.0 110.185 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 38.7 Cg_exo -60.36 166.97 8.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.464 2.109 . . . . 0.0 112.737 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.523 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.8 t -115.48 133.51 55.96 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.912 0.485 . . . . 0.0 110.881 0.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 32.0 m95 -102.75 132.33 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.5 m-70 -103.34 129.01 50.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.0 t -131.59 144.56 51.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.316 0.579 . . . . 0.0 112.151 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 48.2 mt -150.53 138.84 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.005 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -149.8 136.56 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.181 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.73 -133.34 2.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.544 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.553 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 55.0 ttp180 -175.14 44.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 161.27 84.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.506 ' HB3' ' CD2' ' B' ' 62' ' ' PHE . 2.8 p90 -170.03 137.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -111.66 134.36 12.05 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 177.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.457 ' HB2' HG12 ' B' ' 57' ' ' ILE . 62.9 p -155.6 153.54 30.28 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' B' ' 40' ' ' ALA . 22.5 m-85 -124.25 142.09 51.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.63 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 20.3 t -157.63 162.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.2 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 66' ' ' VAL . 92.0 m -115.54 153.75 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.471 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 23.8 p80 -167.6 150.09 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.62 139.27 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.999 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.8 p -56.47 148.36 19.49 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.462 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 66.48 36.38 5.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -157.92 56.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.036 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.516 ' HA ' ' CB ' ' A' ' 86' ' ' PHE . 28.2 t80 -152.95 138.7 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.092 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.418 ' CD1' ' CB ' ' A' ' 18' ' ' GLN . 9.8 tt -161.73 142.13 3.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.219 0.533 . . . . 0.0 112.008 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.433 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 2.7 t80 -141.95 137.35 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.982 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 8.6 p90 -166.54 141.46 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.473 . . . . 0.0 112.077 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -86.93 152.95 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.826 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' GLN . 63.9 tp -160.86 138.38 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 0.0 111.861 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.32 -67.02 0.24 Allowed Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.976 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 39.2 tt0 179.82 36.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 30.8 m -159.79 135.9 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.39 130.24 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.452 HG21 HD12 ' A' ' 83' ' ' ILE . 56.3 mt -113.18 141.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.5 tp -138.1 141.32 40.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.2 tp -158.46 135.29 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CB ' ' HA ' ' A' ' 73' ' ' PHE . 2.5 p90 -173.59 127.73 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -96.38 170.41 9.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.185 0.517 . . . . 0.0 111.799 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.724 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.437 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.725 0.298 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.463 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 28.1 m -90.11 136.36 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.6 mp -81.34 126.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -102.6 -34.59 9.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.472 ' OD1' ' HB3' ' B' ' 75' ' ' TYR . 19.4 p30 -165.95 55.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.045 0.45 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 147.79 43.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.63 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -158.27 70.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.181 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.411 ' HG2' ' N ' ' B' ' 14' ' ' SER . 53.6 ttm -174.55 161.92 3.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.53 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 57.9 m -45.31 140.14 3.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.438 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.1 mt-10 -49.56 -49.73 45.12 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.074 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.89 -41.35 99.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 86.8 mtp -64.97 -47.98 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 18.5 pt20 -67.0 -39.43 87.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.342 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -67.83 -38.96 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.681 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -68.81 -36.78 78.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.9 t -67.48 -41.98 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.038 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.42 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 61.1 t -64.49 -48.86 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.498 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.0 -42.4 89.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.836 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.65 -33.91 73.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.547 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.78 -39.67 76.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.218 0.533 . . . . 0.0 109.907 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -59.49 -46.11 89.75 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.082 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.89 -37.89 83.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.679 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.408 ' HB3' HG12 ' B' ' 38' ' ' ILE . . . -54.78 -47.79 73.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.853 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 33' ' ' ASN . 62.8 mt -61.36 -46.54 89.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.63 -32.5 73.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -83.97 -41.57 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.901 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.451 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 4.8 m-85 -119.23 -46.53 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 22.1 t-20 68.0 46.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.548 ' O ' HG13 ' B' ' 38' ' ' ILE . 45.1 mm -150.41 127.02 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.69 -46.17 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.973 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.74 -57.56 8.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.961 0.41 . . . . 0.0 111.316 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.451 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 57.9 m-20 -53.15 -45.18 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.957 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.548 HG13 ' O ' ' B' ' 34' ' ' ILE . 98.3 mt -48.64 -53.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' B' ' 43' ' ' LYS . . . -65.26 -24.49 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.99 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.424 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . . . -68.57 -62.89 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -64.76 -46.29 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.482 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.507 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 75.4 mt -59.53 -45.68 93.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.513 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 6.5 ttpm? -56.81 -49.6 74.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.059 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.22 -41.38 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.395 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -55.94 -52.72 63.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.112 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -71.01 -42.53 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.949 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' B' ' 52' ' ' PRO . 61.3 t0 -57.02 -40.87 77.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -79.07 -44.75 21.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.224 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.53 -63.21 1.29 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 2.7 m-85 -79.61 -14.64 58.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.256 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.24 145.42 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 122.785 0.434 . . . . 0.0 110.249 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.433 ' HB3' ' OD1' ' B' ' 47' ' ' ASP . 19.5 Cg_endo -62.44 169.84 7.59 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.192 1.928 . . . . 0.0 112.539 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.443 HG23 ' CE1' ' B' ' 55' ' ' HIS . 11.5 t -117.89 113.02 21.12 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.94 0.496 . . . . 0.0 110.983 0.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.662 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.2 m95 -89.85 125.59 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.354 0.597 . . . . 0.0 112.244 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.476 ' ND1' HG12 ' A' ' 66' ' ' VAL . 45.8 m-70 -101.23 132.12 46.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.828 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.7 t -128.02 150.04 50.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 112.068 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.469 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 37.9 mt -147.25 142.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.056 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 51.3 t -156.03 136.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.47 -136.62 2.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 15.6 ptp180 -170.34 32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.598 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.561 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 162.86 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 22.5 p90 -169.86 139.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.67 136.93 13.43 Favored Glycine 0 C--N 1.329 0.156 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t -140.68 146.52 37.94 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' D' ' 4' ' ' THR . 12.0 m-85 -138.69 135.5 34.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.665 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 38.9 t -157.53 169.3 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.417 ' N ' ' CG1' ' B' ' 66' ' ' VAL . 91.8 m -121.11 144.88 48.33 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -160.96 143.52 12.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.006 0.432 . . . . 0.0 111.886 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.25 152.67 43.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 38.8 p -58.7 151.97 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.184 0.516 . . . . 0.0 111.795 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.479 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 44.2 mmtm 63.6 38.53 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.147 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.8 m-70 -164.74 69.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.962 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.659 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.4 t80 -173.58 140.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 tt -160.4 143.91 4.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.921 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.472 ' HB3' ' OD1' ' B' ' 10' ' ' ASN . 44.5 t80 -141.66 140.39 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.394 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.463 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.2 p90 -165.75 141.02 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.06 0.457 . . . . 0.0 111.651 -178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -87.07 143.77 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 53.0 tp -169.82 145.23 2.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.493 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.53 40.99 88.34 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.414 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 53.86 35.72 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.718 0.294 . . . . 0.0 110.654 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 27.8 m -157.99 132.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -69.86 143.42 52.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.1 mt -131.03 134.53 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.606 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 54.1 tp -136.78 146.83 46.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 57.8 tp -161.35 142.96 11.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.659 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 11.5 p90 -179.02 132.88 0.12 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.359 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.662 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -86.11 153.14 22.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 111.815 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -126.02 123.17 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.783 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.448 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.819 0.342 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 34.4 mmtp -70.89 132.91 45.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 t70 -85.99 109.48 18.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.158 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 15.0 t -77.6 144.58 37.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.411 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -148.6 125.99 2.18 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.613 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.411 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.3 pp -162.24 151.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 112.143 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.567 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 17.6 pt20 -138.38 118.55 13.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.683 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 43.4 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.61 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.583 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.674 0.274 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 66' ' ' VAL . 9.1 t -74.53 148.33 41.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.246 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.94 127.03 2.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.919 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' D' ' 6' ' ' ILE . 2.6 pp -158.77 138.28 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 111.705 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.43 ' HG2' ' OD1' ' D' ' 9' ' ' ASP . 51.9 tt0 -112.47 89.67 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.333 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.57 138.44 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.448 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.43 ' OD1' ' HG2' ' D' ' 7' ' ' GLN . 2.3 m-20 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.42 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.568 0.223 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 35.4 m -75.38 135.91 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.127 0.489 . . . . 0.0 112.11 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -79.32 151.63 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.391 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -136.53 -41.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.342 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -138.68 48.19 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.749 0.309 . . . . 0.0 111.438 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.45 138.76 58.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -158.76 59.07 0.43 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.415 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.8 ptm -167.32 -172.63 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.276 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 33.2 t -60.93 135.35 57.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -54.84 -45.71 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.772 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.51 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.132 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.6 mtt -60.11 -45.18 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' HG2' HD11 ' A' ' 74' ' ' ILE . 63.7 mt-30 -58.06 -42.54 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.822 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -59.55 -45.37 92.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.66 -39.87 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -65.16 -42.87 93.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.991 0.425 . . . . 0.0 110.234 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.8 t -63.45 -46.59 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.538 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.72 -46.82 77.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.321 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -65.29 -31.61 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.229 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -71.53 -41.28 69.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.209 0.528 . . . . 0.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -62.03 -47.13 86.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.302 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 74.0 mt-30 -60.93 -36.59 79.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.859 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HB1' HG12 ' A' ' 38' ' ' ILE . . . -57.92 -46.63 84.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.335 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.69 -46.46 85.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 111.551 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 16.0 pt-20 -71.65 -30.81 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.31 -33.1 24.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.855 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.458 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -124.8 -44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.907 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 65.35 45.03 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.995 0.426 . . . . 0.0 110.565 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.581 ' O ' HG13 ' A' ' 38' ' ' ILE . 58.1 mt -149.46 122.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.319 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -43.35 -49.53 6.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.875 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -61.62 -56.91 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.876 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -50.53 -42.03 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.352 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 34' ' ' ILE . 58.2 mt -48.5 -53.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.37 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.77 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.245 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.564 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -69.14 -60.38 2.39 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.444 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -67.46 -44.58 78.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.405 -178.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.507 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 69.4 mt -61.03 -43.9 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.165 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 5.9 ptpp? -64.38 -44.28 91.82 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.676 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.85 -49.42 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.495 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.1 m-85 -69.51 -46.41 66.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.063 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.9 -40.9 70.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -84.21 -42.11 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.607 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -73.61 -60.16 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.359 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.3 m-85 -85.66 -14.41 45.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.016 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.03 145.66 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.437 0 C-N-CA 122.821 0.449 . . . . 0.0 110.0 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -60.01 168.87 5.36 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.124 1.882 . . . . 0.0 112.425 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.424 HG22 ' CE1' ' A' ' 55' ' ' HIS . 12.9 t -117.88 115.58 25.23 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.904 0.481 . . . . 0.0 110.85 0.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.2 m95 -94.24 129.48 40.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.284 0.564 . . . . 0.0 112.407 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 31.4 m-70 -107.28 141.29 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.739 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.0 t -144.06 144.52 31.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.559 0.695 . . . . 0.0 112.764 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.468 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 28.9 mm -144.22 148.03 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.358 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.1 t -155.26 137.05 5.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.827 0.346 . . . . 0.0 111.376 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.28 -135.02 2.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.254 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 15.3 ptm180 -177.88 38.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.678 0.275 . . . . 0.0 111.148 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 171.09 65.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.495 ' CD2' ' CD2' ' B' ' 62' ' ' PHE . 8.9 p90 -163.63 133.07 4.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.039 0.447 . . . . 0.0 112.027 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -81.11 138.31 19.05 Favored Glycine 0 CA--C 1.517 0.185 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.458 ' HB3' HD11 ' C' ' 6' ' ' ILE . 32.2 t -126.29 147.37 49.72 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.651 0.726 . . . . 0.0 112.714 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 23.7 t80 -149.94 128.25 12.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' C' ' 4' ' ' THR . 24.8 t -156.81 169.68 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.685 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 87.3 m -124.55 143.79 50.49 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.1 p80 -163.99 150.86 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.795 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG3' ' CG ' ' A' ' 72' ' ' HIS . 16.5 pt-20 -60.75 144.68 51.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.192 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 p -56.49 148.58 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.4 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 65.06 36.78 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.684 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.421 ' CG ' ' HG3' ' A' ' 69' ' ' GLU . 62.6 m80 -154.03 54.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.827 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 73.0 t80 -159.25 143.53 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 18' ' ' GLN . 7.1 tt -153.62 138.6 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -144.93 134.39 23.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.823 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.9 p90 -164.27 140.03 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.368 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.556 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 16.5 m-30 -73.18 143.37 47.24 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.856 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 5.7 tt -168.6 138.71 2.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.785 0.326 . . . . 0.0 110.818 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 55.49 39.84 75.44 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.565 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 3.8 mm100 56.35 36.48 27.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.809 0.337 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 26.8 m -159.05 134.25 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.786 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.65 130.53 40.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.446 HD12 HG22 ' A' ' 83' ' ' ILE . 57.0 mt -112.5 139.69 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.427 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 57.8 tp -132.59 138.27 47.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.1 tp -158.29 139.81 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.435 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.7 p90 -173.98 132.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.285 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -92.6 140.8 29.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.736 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.757 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.538 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.0 m -87.07 135.77 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 120.981 0.419 . . . . 0.0 111.531 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' B' ' 76' ' ' PHE . 6.2 tp -95.12 142.45 13.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.944 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -131.81 -41.32 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 74.0 m-20 -115.62 49.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.9 137.76 54.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.472 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 63.7 t0 -174.37 52.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.432 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 55.2 mtt -158.62 143.57 16.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -46.15 145.17 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 56.2 mt-10 -43.34 -39.65 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.74 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.468 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -67.69 -43.44 80.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.678 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.438 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 67.0 mtt -64.51 -47.31 79.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.716 0.293 . . . . 0.0 111.229 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.7 pt20 -65.27 -37.23 86.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.724 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.468 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.0 pt20 -71.66 -37.96 70.72 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.419 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -66.47 -40.2 89.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.012 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.473 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.32 -44.53 90.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.01 -43.52 78.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.72 -33.46 73.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.461 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -72.57 -39.15 67.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.147 0.498 . . . . 0.0 109.986 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -65.19 -45.93 82.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 87.8 mt-30 -62.49 -39.31 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.278 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' B' ' 41' ' ' HIS . . . -59.12 -44.04 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.358 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.19 -45.06 90.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.562 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 12.1 pt-20 -70.43 -32.61 70.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -83.6 -34.64 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.8 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.463 ' CG ' ' OD2' ' B' ' 37' ' ' ASP . 32.3 m-85 -124.06 -44.78 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 68.23 51.77 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.435 ' O ' HD12 ' B' ' 38' ' ' ILE . 57.3 mt -145.71 134.99 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.607 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.415 ' OE2' ' HB ' ' B' ' 81' ' ' VAL . 3.7 mm-40 -61.7 -48.66 79.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.512 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.425 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 2.0 tmmm? -69.73 -49.76 50.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.219 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.463 ' OD2' ' CG ' ' B' ' 32' ' ' TYR . 35.4 t70 -61.71 -44.39 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.435 HD12 ' O ' ' B' ' 34' ' ' ILE . 0.2 OUTLIER -55.47 -51.16 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.994 0.426 . . . . 0.0 110.667 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -24.01 67.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -67.58 -55.58 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.821 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.516 ' HA ' ' HE3' ' B' ' 44' ' ' LYS . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 -179.108 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' B' ' 41' ' ' HIS . 70.7 mt -60.18 -42.94 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.907 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -62.5 -52.51 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.5 pttp -61.36 -43.37 98.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 65.9 mm-40 -59.98 -44.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.613 0.244 . . . . 0.0 111.632 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.47 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 15.2 m-85 -64.83 -38.93 92.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.652 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD1' ' B' ' 54' ' ' TRP . 19.4 m-20 -64.44 -38.38 90.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.762 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.621 ' HD3' ' N ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -80.54 -27.79 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.042 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.621 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 27.8 tptp -90.31 -63.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 4.2 m-85 -86.24 -15.11 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 66.4 m-20 95.36 141.59 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.521 0 C-N-CA 122.963 0.505 . . . . 0.0 110.491 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 28.9 Cg_endo -62.92 167.8 11.55 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.776 2.317 . . . . 0.0 113.283 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.517 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.3 t -114.71 127.27 55.66 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 122.436 0.294 . . . . 0.0 111.139 0.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.54 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.8 m95 -100.66 130.95 46.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 111.824 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.481 ' HD1' HG11 ' A' ' 66' ' ' VAL . 15.6 m-70 -110.27 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.037 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.3 t -135.1 148.81 49.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.357 0.599 . . . . 0.0 112.216 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.463 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 54.4 mt -149.92 143.77 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.713 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 47.6 t -150.86 140.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 111.363 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.98 -131.98 1.8 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 16.0 ptp180 -172.59 32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 32.5 t30 168.33 81.71 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.723 0.297 . . . . 0.0 110.518 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.495 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 4.1 p90 -168.95 133.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.075 0.464 . . . . 0.0 111.77 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.65 133.58 12.59 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -128.18 143.45 51.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.48 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 1.7 t80 -152.36 121.13 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.423 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' D' ' 4' ' ' THR . 24.0 t -155.73 163.56 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.411 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.2 m -103.91 158.92 16.08 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.0 p80 -163.52 144.77 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.254 0.55 . . . . 0.0 112.083 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.76 160.41 17.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.377 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.7 p -55.92 142.35 35.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.933 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.595 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 61.28 15.84 6.8 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.477 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.5 ' ND1' ' HG3' ' B' ' 87' ' ' LYS . 57.6 m170 -124.66 69.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.402 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 2.3 t80 -160.9 132.41 5.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 11.6 tt -155.55 142.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.06 0.457 . . . . 0.0 111.406 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.507 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 5.8 t80 -157.34 134.34 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.141 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.538 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 6.8 p90 -166.79 142.63 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.183 0.516 . . . . 0.0 111.819 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 68.9 m-85 -83.91 150.81 25.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.162 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 37.2 tp -155.8 131.57 9.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.781 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.77 -65.27 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.09 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' B' ' 78' ' ' LEU . 25.8 pt20 178.89 39.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.415 ' HB ' ' OE2' ' B' ' 35' ' ' GLU . 34.2 m -156.82 137.78 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.344 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -77.92 130.21 36.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.255 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.0 mt -113.08 141.43 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 60.9 tp -141.58 142.01 33.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 60.9 tp -160.2 142.33 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.51 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.505 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 9.4 p90 -179.11 135.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.032 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.6 ptmt -98.27 170.41 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.671 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.4 t -146.96 132.81 19.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.603 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.415 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' C' ' 1' ' ' MET . 27.8 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -154.91 133.87 12.26 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.271 0.557 . . . . 0.0 111.4 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.685 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 10.1 p-10 -79.83 128.91 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.863 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.5 t -78.31 136.4 37.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.071 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.443 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -133.04 120.2 2.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.332 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 64' ' ' SER . 2.5 pp -160.32 141.97 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.974 0.416 . . . . 0.0 111.193 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.435 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.8 pt20 -115.3 113.3 23.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 37.0 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.608 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 2.5 p30 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.257 0.551 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.529 ' N ' ' O ' ' B' ' 66' ' ' VAL . 42.4 m -73.26 147.13 44.87 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.999 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.457 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -157.15 127.63 1.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.646 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.8 pp -161.59 138.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.994 0.425 . . . . 0.0 111.299 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 21.8 pt20 -104.12 82.71 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 62.7 t -69.7 133.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.812 0.339 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 57.7 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.618 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -86.42 137.3 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 112.144 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -82.58 150.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.805 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -141.43 -44.11 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.415 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -126.29 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.184 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.77 140.03 57.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -172.56 56.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.284 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.413 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 19.6 ptm -172.48 172.42 4.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.969 0.414 . . . . 0.0 111.293 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.8 m -48.06 142.57 5.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.678 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.481 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 56.1 mt-10 -56.95 -45.62 82.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.559 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.61 -43.2 99.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.271 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.413 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 65.9 mtt -58.88 -51.06 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.324 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 12.7 pt20 -58.27 -38.27 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.411 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -65.63 -44.32 86.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.24 -37.18 86.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.1 t -66.5 -45.62 78.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.82 -48.37 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.616 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.63 -41.5 92.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.188 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.85 -35.46 80.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.847 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.69 -38.32 83.53 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.236 0.541 . . . . 0.0 109.616 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.4 m -60.6 -44.11 96.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -59.94 -44.64 94.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.355 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 38' ' ' ILE . . . -55.93 -42.34 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.759 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 51.6 mt -60.39 -50.26 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.57 -31.13 71.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 60.0 mttp -79.28 -32.56 43.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.713 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 5.8 m-85 -139.61 -44.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 112.168 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 23.9 t-20 69.65 53.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 110.583 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 38' ' ' ILE . 49.5 mm -145.29 127.34 9.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -48.35 -50.27 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.558 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 35.1 ttpt -62.32 -56.96 13.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.457 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -55.51 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.011 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 34' ' ' ILE . 96.6 mt -50.5 -43.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 0.0 111.397 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' HB2' ' CD1' ' B' ' 65' ' ' TYR . . . -62.36 -36.25 81.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.563 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HB3' ' CE2' ' B' ' 65' ' ' TYR . . . -67.68 -45.67 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 32' ' ' TYR . 17.4 m-70 -63.7 -52.04 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 111.795 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.13 -49.64 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.06 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 43' ' ' LYS . 5.8 tmmm? -56.33 -57.52 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -60.79 -42.74 98.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -53.36 -50.15 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.83 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.455 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 14.2 m-85 -69.94 -41.4 74.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 58.0 m-20 -52.41 -32.89 41.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.901 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.49 -46.23 23.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.661 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -82.38 -60.51 2.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.55 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.2 m-85 -81.32 -17.84 47.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.55 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.0 m120 90.17 143.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.315 0 C-N-CA 122.698 0.399 . . . . 0.0 110.167 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.413 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.0 Cg_endo -60.42 167.97 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.426 2.084 . . . . 0.0 113.074 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 9.0 t -113.1 132.11 55.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.679 0.392 . . . . 0.0 111.304 0.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.563 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 33.0 m95 -106.78 132.14 53.09 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.189 0.519 . . . . 0.0 111.823 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 15.6 m-70 -107.73 134.86 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.891 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -138.84 151.86 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.423 0.63 . . . . 0.0 112.41 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.42 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 55.0 mt -150.21 144.7 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.664 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -146.95 129.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 111.102 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.81 -132.82 1.9 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.183 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.8 ptt180 -179.01 36.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 13.4 t-20 171.37 78.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.301 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.488 ' CD2' ' CB ' ' B' ' 62' ' ' PHE . 23.4 p90 -167.24 133.68 2.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -83.47 133.19 11.66 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 177.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.434 ' HA ' HD12 ' B' ' 57' ' ' ILE . 43.8 t -128.04 144.07 51.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.848 0.824 . . . . 0.0 113.092 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.47 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 0.9 OUTLIER -149.49 121.72 8.37 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.447 178.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 4' ' ' THR . 21.5 t -153.54 168.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.405 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.812 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 92.5 m -119.68 143.18 47.87 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.7 p80 -163.56 152.88 14.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.008 0.432 . . . . 0.0 111.59 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -58.67 138.21 57.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.991 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.9 p -58.31 147.97 29.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.221 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 7.1 mmpt? 67.53 36.4 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.129 0.49 . . . . 0.0 110.206 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -153.57 48.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.292 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 74' ' ' ILE . 7.1 t80 -156.54 146.57 21.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.085 0.469 . . . . 0.0 111.412 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 9.8 tt -159.88 141.69 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.247 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -135.44 135.74 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.379 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 8.5 p90 -165.69 140.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.171 0.51 . . . . 0.0 112.06 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.46 154.72 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' GLN . 55.5 tp -161.25 136.9 7.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.46 . . . . 0.0 111.685 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.44 -66.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.953 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 51.0 tt0 179.8 36.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.099 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 30.2 m -159.45 134.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.09 122.65 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.458 HD12 HG23 ' A' ' 83' ' ' ILE . 58.4 mt -100.7 143.05 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.04 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.0 tp -134.23 139.92 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.3 tp -158.52 136.75 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.479 ' CB ' ' HA ' ' A' ' 73' ' ' PHE . 4.3 p90 -174.36 127.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 20.9 ptmt -96.06 170.39 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.286 0.565 . . . . 0.0 111.826 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.65 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.422 ' HB3' ' CD1' ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.606 0.241 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 25.8 m -91.67 137.04 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 111.609 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -83.49 128.74 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.178 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.626 ' HA ' ' HE3' ' B' ' 9' ' ' LYS . 0.0 OUTLIER -86.89 -42.06 13.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.23 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -171.22 63.69 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.83 0.347 . . . . 0.0 111.349 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.24 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 59.1 m-20 -156.59 61.74 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 111.459 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 22.0 ptm -173.24 -174.08 0.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.964 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.0 m -53.8 137.1 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.331 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.3 pt-20 -56.33 -44.9 80.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.403 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.5 pt-20 -58.06 -45.96 86.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.503 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.66 -46.42 88.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.471 ' HA ' HD12 ' B' ' 74' ' ' ILE . 16.6 pt20 -66.73 -38.27 86.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.604 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.9 pt20 -73.29 -36.01 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.511 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -69.9 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.698 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -67.58 -42.39 82.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 0.0 110.079 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.74 -48.95 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.393 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.18 -43.28 87.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.882 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.12 -36.18 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.443 ' O ' ' CD1' ' B' ' 29' ' ' LEU . . . -67.74 -45.52 74.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.1 m -54.63 -42.04 70.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.187 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 39.8 tt0 -59.75 -43.38 94.29 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.043 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' B' ' 38' ' ' ILE . . . -55.49 -44.97 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.211 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' B' ' 25' ' ' ALA . 7.4 mp -61.06 -48.06 83.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.83 0.348 . . . . 0.0 111.37 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 22.9 pt-20 -67.92 -31.12 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.586 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.432 ' CD ' ' HG2' ' B' ' 27' ' ' GLN . 55.9 mtpt -79.43 -27.53 41.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.702 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.549 ' CE2' ' CE1' ' B' ' 41' ' ' HIS . 57.0 m-85 -146.56 -43.02 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.2 t30 70.23 51.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.087 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.529 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.2 mt -134.5 126.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.87 -47.76 60.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -65.71 -55.67 16.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 0.0 111.848 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.11 -44.75 71.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.451 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.529 HG13 ' O ' ' B' ' 34' ' ' ILE . 97.3 mt -47.04 -48.31 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.92 80.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.47 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -63.68 -48.89 75.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.549 ' CE1' ' CE2' ' B' ' 32' ' ' TYR . 34.3 m-70 -57.9 -50.99 71.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 110.656 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.44 HG23 ' CE1' ' B' ' 46' ' ' PHE . 61.8 mt -67.35 -34.0 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.641 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' B' ' 47' ' ' ASP . 29.2 tptp -57.87 -68.67 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.568 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.48 -43.8 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -53.17 -48.37 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.44 ' CE1' HG23 ' B' ' 42' ' ' ILE . 5.7 m-85 -75.02 -42.87 56.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 58.2 m-20 -57.99 -40.09 79.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 110.959 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -74.43 -41.13 61.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.841 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.37 -70.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.3 m-85 -78.77 -13.67 59.69 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -177.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 61.8 m-20 92.91 143.0 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 122.726 0.411 . . . . 0.0 110.496 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.435 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 35.3 Cg_endo -64.67 171.28 8.59 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.533 2.155 . . . . 0.0 113.101 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.435 ' HA ' ' CB ' ' B' ' 52' ' ' PRO . 12.6 t -117.37 114.96 24.31 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.24 0.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.722 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -88.63 120.66 30.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.874 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.419 ' HD1' HG11 ' A' ' 66' ' ' VAL . 35.0 m-70 -89.2 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 18.2 p -142.3 143.16 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.599 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.45 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 28.7 mm -143.33 149.54 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.73 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -153.56 132.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.362 . . . . 0.0 111.257 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.01 -135.06 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.5 ptt180 -176.86 37.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.661 0.267 . . . . 0.0 111.082 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 20.5 t-20 165.31 81.64 0.0 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.209 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.488 ' CB ' ' CD2' ' A' ' 62' ' ' PHE . 18.3 p90 -176.4 140.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -93.71 142.08 15.84 Favored Glycine 0 N--CA 1.454 -0.135 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.937 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -144.31 146.35 32.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 117.861 0.83 . . . . 0.0 113.051 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' D' ' 4' ' ' THR . 14.7 m-85 -139.25 136.45 34.96 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.168 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 17.1 t -158.41 158.19 2.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.647 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.472 ' N ' HG13 ' B' ' 66' ' ' VAL . 92.0 m -105.51 152.51 22.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -169.16 147.21 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.01 156.86 34.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.17 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -61.95 157.1 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.62 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.572 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 66.04 36.78 5.59 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.235 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.0 m-70 -163.47 69.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' B' ' 73' ' ' PHE . 1.5 t80 -154.59 127.24 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' B' ' 18' ' ' GLN . 13.2 tt -154.83 146.15 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.294 0.568 . . . . 0.0 111.718 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.408 ' OH ' ' CG2' ' D' ' 8' ' ' VAL . 2.1 t80 -155.66 136.56 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.135 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.9 p90 -165.24 142.27 5.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -78.85 149.75 32.43 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.988 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' B' ' 6' ' ' ALA . 28.1 tp -158.05 133.61 8.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 111.895 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.77 -66.48 0.18 Allowed Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 80' ' ' GLN . 39.7 tt0 179.0 38.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.096 0.474 . . . . 0.0 109.837 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 31.5 m -159.42 137.83 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.176 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.68 137.67 48.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.486 HG22 HD12 ' B' ' 83' ' ' ILE . 58.6 mt -122.33 141.62 42.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.288 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 54.8 tp -136.11 139.65 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 53.3 tp -154.43 141.45 19.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.029 0.443 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 3.3 p90 -178.45 128.22 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.948 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.722 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.5 ptpt -80.06 164.34 23.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.178 0.513 . . . . 0.0 111.684 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 62.3 m -146.56 134.27 21.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.693 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.526 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.789 0.328 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' C' ' 2' ' ' LYS . 0.1 OUTLIER -164.52 142.86 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 110.983 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.812 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -86.99 132.87 33.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.33 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.9 t -74.79 143.59 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.477 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -143.76 118.55 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.44 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.5 pp -163.09 168.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.409 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 26.5 pt20 -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.924 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.8 p-10 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.875 0.369 . . . . 0.0 111.831 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 66' ' ' VAL . 14.9 t -69.65 138.58 53.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.709 178.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.429 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -142.88 125.05 2.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.013 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.5 pp -162.15 146.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.229 0.538 . . . . 0.0 111.992 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 15.2 pt20 -125.18 108.32 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 23.9 t -72.15 131.69 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.377 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.25 139.58 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.221 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.443 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -79.76 147.24 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.953 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.96 -36.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 76.2 m-20 -143.47 48.67 1.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.624 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.12 143.75 56.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.499 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -162.29 54.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 111.496 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.5 ptp -169.68 -174.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.402 ' OG ' ' HG3' ' A' ' 17' ' ' MET . 60.7 p -60.94 143.06 55.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.034 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.1 mt-10 -54.45 -43.06 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.617 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.03 -47.79 82.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.819 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.402 ' HG3' ' OG ' ' A' ' 14' ' ' SER . 67.5 mtt -57.21 -51.12 70.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.697 0.284 . . . . 0.0 111.585 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 14.8 pt20 -60.5 -37.2 80.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.121 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 73.2 mt-30 -67.27 -44.08 80.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.121 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.522 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m-20 -65.45 -37.64 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -66.88 -41.16 87.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.236 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.448 ' CG2' ' CE2' ' A' ' 76' ' ' PHE . 59.9 t -64.87 -48.63 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.678 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.522 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -67.47 -41.88 83.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.13 -33.35 75.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.5 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -69.92 -40.82 75.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 109.775 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -60.23 -48.14 83.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.257 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 73.5 mt-30 -58.25 -38.73 77.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.676 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' HB3' HG12 ' A' ' 38' ' ' ILE . . . -54.1 -49.58 68.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.904 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.73 -43.8 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.79 -33.69 73.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.435 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -87.71 -44.8 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 92.6 m-85 -110.35 -45.91 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.868 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 21.6 t-20 67.88 43.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 110.161 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.567 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.5 mt -153.44 122.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.461 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -43.94 -44.56 7.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.018 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.89 -58.81 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.434 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.425 ' HB3' ' CG ' ' A' ' 32' ' ' TYR . 57.4 m-20 -57.45 -42.83 83.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.549 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 34' ' ' ILE . 91.8 mt -48.42 -52.59 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.156 0.503 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -64.75 -30.47 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.325 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.26 -62.83 1.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -61.93 -47.25 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.303 -178.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.5 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 83.4 mt -57.38 -38.86 64.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.237 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -61.33 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.155 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -57.56 -44.22 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.746 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.16 -52.64 64.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.653 0.263 . . . . 0.0 111.053 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.461 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 44.6 m-85 -66.15 -42.0 89.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.675 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 6.3 t0 -59.82 -36.4 76.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.506 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.56 -44.31 19.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.316 -179.228 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.0 -66.89 0.79 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.566 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.1 m-85 -79.06 -20.55 48.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.633 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.566 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.3 143.6 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.656 0.382 . . . . 0.0 110.205 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.439 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 13.6 Cg_endo -57.4 170.51 1.7 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.631 2.22 . . . . 0.0 113.102 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 13.5 t -116.74 109.66 17.43 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 121.05 0.453 . . . . 0.0 111.193 0.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.738 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.0 m95 -85.77 124.29 32.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.462 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.442 ' HD1' HG13 ' B' ' 66' ' ' VAL . 45.1 m-70 -91.44 131.29 37.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.986 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.424 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 80.1 m -120.56 139.99 52.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.237 0.541 . . . . 0.0 111.856 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.7 mt -151.49 137.55 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.674 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -153.21 135.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.468 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.4 -132.07 1.86 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.706 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 26.3 ptt-85 -178.89 35.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 38.4 t30 167.71 81.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.645 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 15.1 p90 -166.92 138.08 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.425 0.631 . . . . 0.0 112.618 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.64 142.32 16.02 Favored Glycine 0 N--CA 1.454 -0.164 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.8 m -159.84 154.64 24.44 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' B' ' 40' ' ' ALA . 22.0 m-85 -144.03 142.42 30.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.067 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.697 HG13 ' HD1' ' B' ' 55' ' ' HIS . 54.2 t -157.46 166.73 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.432 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 91.5 m -126.24 142.41 51.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.9 p80 -162.65 151.88 15.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.653 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt-20 -60.82 145.71 48.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.2 p -59.77 152.75 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.692 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 66.58 37.54 4.43 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.146 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.427 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 64.3 m80 -157.54 56.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.486 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 5.6 t80 -164.76 144.91 7.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.148 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -158.37 135.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.07 0.462 . . . . 0.0 111.25 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 45.3 t80 -134.16 142.42 47.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.653 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 74' ' ' ILE . 1.1 p90 -169.92 137.84 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.145 0.497 . . . . 0.0 111.999 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -83.0 154.82 24.28 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.146 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 51.3 tp -161.09 131.27 5.04 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.99 -66.47 0.13 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.236 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.414 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 26.3 pt20 -178.62 36.86 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.079 0.466 . . . . 0.0 110.173 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 27.1 m -160.34 135.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.43 125.27 30.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -103.77 140.07 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.262 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.3 tp -136.8 138.8 41.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD2' ' CE2' ' A' ' 46' ' ' PHE . 58.0 tp -156.66 139.41 15.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.828 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.6 p90 -176.2 128.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.437 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -81.54 163.5 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -179.654 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.833 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.735 0.302 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.49 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -96.56 137.06 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.631 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.456 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -88.64 144.35 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -124.15 -50.36 1.8 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.496 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -100.05 -58.92 1.81 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.351 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.93 136.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.046 0.451 . . . . 0.0 111.677 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 36.8 t70 -179.58 48.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.207 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' B' ' 17' ' ' MET . 86.4 mtp -152.38 138.38 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.632 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 63.2 p -45.13 147.35 0.73 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.2 pt-20 -39.25 -46.23 1.49 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 23.0 pt-20 -65.2 -44.3 88.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.787 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.466 ' HB3' ' CE ' ' B' ' 13' ' ' MET . 90.1 mtp -63.78 -45.14 91.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.289 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.7 pt20 -67.49 -38.77 84.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.652 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.4 pt20 -71.56 -32.54 68.21 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.408 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -69.5 -40.78 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.521 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -69.24 -44.59 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.037 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.17 -43.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.427 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -69.06 -42.54 76.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.61 -34.97 79.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.38 -38.55 78.07 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.185 0.517 . . . . 0.0 109.875 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -59.92 -45.91 91.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.173 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.3 -38.85 88.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.806 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.26 -46.06 76.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.287 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.32 -45.54 87.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.66 -32.92 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.231 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -84.32 -35.18 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.979 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -121.74 -44.48 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.841 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 64.95 41.58 4.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.496 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.9 mt -152.74 112.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.449 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' B' ' 58' ' ' VAL . 0.7 OUTLIER -41.3 -41.91 2.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.26 -179.385 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -59.02 -56.16 25.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.241 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.456 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -61.95 -40.49 95.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.698 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.496 HG13 ' O ' ' B' ' 34' ' ' ILE . 81.6 mt -46.45 -54.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.41 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.114 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . . . -67.69 -63.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.455 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -64.86 -46.55 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.661 -178.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.526 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 68.3 mt -59.61 -46.71 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.612 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.465 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 4.5 ttpm? -58.03 -50.0 74.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.774 0.321 . . . . 0.0 111.158 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -59.31 -45.06 92.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.562 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.54 -49.09 73.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 111.056 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.511 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 28.7 m-85 -63.5 -45.95 88.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.565 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.523 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 64.4 m-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.407 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.489 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 3.5 tmtp? -76.12 -40.7 52.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.433 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -82.62 -60.87 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.525 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.27 -21.47 31.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 64.0 m-20 93.54 142.27 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 122.656 0.382 . . . . 0.0 109.995 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.98 168.65 0.79 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.311 2.008 . . . . 0.0 112.786 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 9.9 t -117.87 118.97 33.46 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 122.63 0.372 . . . . 0.0 111.256 0.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.59 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.9 m95 -94.11 127.6 40.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.344 0.592 . . . . 0.0 112.368 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.697 ' HD1' HG13 ' A' ' 66' ' ' VAL . 32.7 m-70 -101.39 137.79 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.125 178.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.6 t -139.64 149.4 43.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.347 0.594 . . . . 0.0 112.273 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.45 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 62.9 mt -150.73 143.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.803 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 58.2 t -155.1 132.44 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 111.418 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 173.88 -141.63 6.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.692 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.569 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 25.3 mmt180 -160.44 37.85 0.17 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 163.97 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.645 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 9.7 p90 -164.78 141.91 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.59 142.28 16.58 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 55.4 m -144.68 145.41 31.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.567 0.683 . . . . 0.0 112.512 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.467 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 3.7 t80 -152.31 129.78 11.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.257 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 45.7 t -158.33 168.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.121 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 99.6 m -124.5 142.09 51.59 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -161.29 148.22 14.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.091 0.472 . . . . 0.0 112.073 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.74 154.44 33.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.21 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.5 p -62.85 154.32 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.675 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.567 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.14 38.45 8.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 88.9 m-70 -162.84 69.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.274 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.608 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 5.5 t80 -176.86 145.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.9 tt -163.32 125.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.123 0.487 . . . . 0.0 111.842 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -117.87 136.44 53.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.151 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 1.9 p90 -170.04 138.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.004 0.431 . . . . 0.0 111.546 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.424 ' CE2' ' HB1' ' B' ' 82' ' ' ALA . 4.1 m-85 -78.85 147.2 33.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.808 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' B' ' 6' ' ' ALA . 48.2 tp -162.63 144.96 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.82 39.64 68.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.322 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.423 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 10.0 mm100 59.67 36.75 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.608 0.242 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 28.8 m -159.92 136.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -69.44 136.66 51.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.8 mt -127.67 143.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.38 140.76 37.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.691 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.416 HD22 ' CE2' ' B' ' 46' ' ' PHE . 57.6 tp -153.61 138.73 17.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.759 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.608 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.2 p90 -177.56 131.31 0.16 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 63.5 pttt -91.73 148.69 22.06 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.182 0.515 . . . . 0.0 111.882 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.8 t -119.64 129.55 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.673 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.597 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mmm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.792 0.329 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.486 ' HB3' ' NZ ' ' C' ' 2' ' ' LYS . 8.4 mtpm? -158.18 130.42 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.559 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 43.5 p-10 -76.57 120.45 21.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.635 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 11.7 t -80.25 132.8 35.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.257 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.02 134.05 9.05 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.799 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 pt -153.59 167.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.517 0.675 . . . . 0.0 112.261 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' C' ' 7' ' ' GLN . 2.9 tp60 -158.74 76.77 0.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.841 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 48.1 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.3 p-10 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 111.548 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 66' ' ' VAL . 12.7 t -76.32 137.66 40.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -135.34 127.06 4.2 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.975 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 47.5 pt -157.5 170.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.092 0.473 . . . . 0.0 111.432 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -162.15 87.58 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.985 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.2 t -69.5 146.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.341 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' D' ' 9' ' ' ASP . 9.6 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.113 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.786 0.326 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 23.9 m -108.72 137.92 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.783 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -85.09 138.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.799 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -119.42 -48.32 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.372 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -93.7 -58.52 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.2 129.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.511 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 64.8 t0 179.03 47.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.057 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.406 ' HB3' ' HB3' ' A' ' 17' ' ' MET . 58.8 mtt -157.93 144.95 18.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.629 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -49.38 144.66 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.64 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.454 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.7 pt-20 -42.13 -40.54 2.35 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.47 -45.79 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.468 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.406 ' HB3' ' HB3' ' A' ' 13' ' ' MET . 46.7 ttm -60.69 -50.32 73.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.667 0.27 . . . . 0.0 111.154 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 17.6 pt20 -61.77 -35.54 78.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.364 . . . . 0.0 110.469 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.11 -44.56 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -36.95 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.685 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.7 m -64.56 -43.4 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.986 0.422 . . . . 0.0 109.925 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.27 -47.47 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.66 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.8 -44.64 85.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.1 m -63.63 -32.51 74.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.31 -38.37 71.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 87.2 m -62.41 -47.32 84.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.349 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.623 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.1 tt0 -60.2 -48.73 80.5 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.938 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 38' ' ' ILE . . . -53.19 -35.41 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.825 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' THR . 44.8 mt -63.09 -54.92 30.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.035 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 20.4 pt-20 -59.19 -21.11 58.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.081 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 31.3 mmmt -71.13 -40.65 71.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -153.75 -45.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 179.176 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 67.87 57.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.8 mt -136.44 29.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 64.29 -63.47 0.16 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.424 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.3 ttpm? -56.61 -57.0 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 111.441 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 m-20 -58.35 -40.31 81.84 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.199 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.477 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 56.1 mt -49.83 -46.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.312 0.577 . . . . 0.0 110.07 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -67.02 -25.86 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.988 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -62.52 -47.88 82.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.441 . . . . 0.0 110.692 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 31' ' ' LYS . 66.4 m-70 -68.41 -47.49 67.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.379 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.25 -44.55 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.013 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 39' ' ' ALA . 14.9 ptmm? -62.93 -48.22 79.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.663 0.268 . . . . 0.0 111.576 -179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 67.1 mttm -70.26 -44.6 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -54.47 -51.74 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.479 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -70.09 -41.49 73.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 5.2 t0 -57.88 -37.18 73.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.44 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 4.2 tmtt? -75.98 -45.36 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.784 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -81.94 -64.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -76.38 -21.97 55.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.552 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 35.4 t30 92.2 137.44 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.475 0 O-C-N 123.289 0.368 . . . . 0.0 110.25 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.432 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 8.0 Cg_endo -50.52 169.77 0.15 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.772 2.315 . . . . 0.0 113.269 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 53' ' ' THR . 12.9 t -117.41 106.64 13.43 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.161 0.505 . . . . 0.0 111.416 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.694 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.3 m95 -85.88 122.46 29.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.102 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.531 ' ND1' HG12 ' B' ' 66' ' ' VAL . 32.3 m-70 -96.35 133.87 40.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.8 t -132.7 138.61 47.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.396 0.617 . . . . 0.0 112.401 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 2.7 mp -137.67 139.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.378 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.9 t -144.77 137.16 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 111.305 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.83 -133.27 2.59 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.06 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.5 ptt180 -179.72 37.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.737 0.304 . . . . 0.0 111.564 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 174.19 77.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.355 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 5.7 p90 -170.08 134.96 1.3 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 0.0 111.796 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -107.36 139.24 14.9 Favored Glycine 0 N--CA 1.455 -0.059 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.463 ' HB3' HG21 ' B' ' 57' ' ' ILE . 79.0 p -161.11 165.08 30.17 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' B' ' 40' ' ' ALA . 13.6 m-85 -133.8 148.41 51.34 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.173 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 16.0 t -157.85 166.29 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.8 m -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.1 p80 -165.21 143.41 6.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.016 0.436 . . . . 0.0 112.049 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 148.9 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.821 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.1 p -59.13 153.94 17.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.455 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 10.9 mmpt? 65.21 39.16 5.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.616 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 78.3 m-70 -165.18 55.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.375 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.498 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 44.7 t80 -157.75 141.26 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.636 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.4 tt -160.58 137.93 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.248 0.547 . . . . 0.0 112.046 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -142.33 132.77 25.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.187 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.4 p90 -165.39 138.4 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.042 0.449 . . . . 0.0 111.958 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 54.2 m-85 -77.33 143.49 38.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.302 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 39.3 tp -170.36 143.44 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.02 40.81 91.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 83.8 mt-30 56.21 33.54 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 31.6 m -159.95 132.15 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . . . -74.55 130.15 39.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 83' ' ' ILE . 4.1 mp -106.45 140.79 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.0 tp -130.15 139.39 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.518 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 50.0 tp -159.9 136.47 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -176.26 129.28 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.236 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 18.1 ptpt -79.0 163.24 25.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.991 0.424 . . . . 0.0 111.487 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 53' ' ' THR . 47.2 t . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.446 ' HB3' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.89 0.376 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 19.1 m -101.53 138.08 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.416 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -85.73 149.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.279 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -140.94 -40.65 0.4 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.296 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -131.94 49.85 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.49 142.59 48.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -168.52 59.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 11.2 ptp -173.53 150.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.144 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -40.99 144.94 0.23 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.83 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.437 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 49.7 mt-10 -48.83 -47.19 42.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.087 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.451 ' OE2' ' HB2' ' B' ' 17' ' ' MET . 1.1 pp20? -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.175 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.451 ' HB2' ' OE2' ' B' ' 16' ' ' GLU . 46.5 ttm -71.72 -48.53 46.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.349 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.437 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.2 pt20 -65.92 -40.5 91.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.499 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -66.14 -38.02 87.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.729 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.6 -38.09 77.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.471 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -68.38 -44.54 74.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.102 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.442 ' HA ' ' CE2' ' B' ' 76' ' ' PHE . 53.1 t -65.95 -44.66 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.26 -42.48 83.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.086 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.51 -32.17 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.733 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.508 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.02 -40.16 78.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 109.598 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.0 m -59.52 -46.1 89.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.221 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -58.87 -42.06 88.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.953 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HB3' ' CG2' ' B' ' 38' ' ' ILE . . . -56.55 -40.92 75.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.005 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' B' ' 33' ' ' ASN . 50.2 mt -63.66 -49.24 73.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 111.422 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -69.23 -30.63 68.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.315 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.79 -32.32 19.14 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.468 ' O ' ' CG ' ' B' ' 33' ' ' ASN . 3.7 m-85 -124.86 -37.09 2.49 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.468 ' CG ' ' O ' ' B' ' 32' ' ' TYR . 23.2 p30 53.12 44.84 29.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.067 0.46 . . . . 0.0 111.013 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.517 ' O ' HG13 ' B' ' 38' ' ' ILE . 45.1 mm -150.65 123.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.449 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -49.93 -45.15 50.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.138 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' C' ' 7' ' ' GLN . 0.8 OUTLIER -67.66 -48.93 65.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.703 -179.165 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -64.77 -44.11 91.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.364 . . . . 0.0 111.41 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 34' ' ' ILE . 68.2 mt -54.41 -54.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.909 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.42 68.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.872 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.422 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . . . -67.54 -61.16 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -60.24 -49.14 78.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.018 -178.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 67.8 mt -57.66 -38.06 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.416 ' CE ' ' HB3' ' A' ' 65' ' ' TYR . 24.6 ttpp -58.58 -49.85 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.012 0.434 . . . . 0.0 110.622 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -64.37 -44.24 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.882 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.74 -52.37 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.325 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.433 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 12.1 m-85 -72.49 -41.15 66.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.448 ' OD1' ' HG3' ' B' ' 52' ' ' PRO . 4.7 t70 -57.4 -37.08 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.786 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -88.82 -39.63 13.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.772 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -74.21 -69.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.508 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 9.7 m-30 -76.29 -6.62 52.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 94.07 142.29 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 C-N-CA 123.081 0.552 . . . . 0.0 110.697 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.448 ' HG3' ' OD1' ' B' ' 47' ' ' ASP . 16.6 Cg_exo -65.12 167.2 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.419 2.079 . . . . 0.0 112.622 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 13.9 t -118.54 115.7 25.12 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.916 0.486 . . . . 0.0 110.742 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.721 ' CG ' ' HB3' ' B' ' 87' ' ' LYS . 22.5 m95 -87.92 134.85 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.348 0.594 . . . . 0.0 112.464 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.425 ' HD1' HG11 ' A' ' 66' ' ' VAL . 29.5 m-70 -105.0 128.77 53.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.218 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 77.6 m -119.53 134.03 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.547 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.492 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 2.9 mp -141.48 139.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.808 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 46.8 t -155.35 136.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 0.0 111.322 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.06 -138.55 3.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.839 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 6.7 ptp85 -169.03 33.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 29.0 t30 165.34 82.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.411 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.492 ' CE2' ' CG2' ' B' ' 57' ' ' ILE . 26.1 p90 -169.12 135.67 1.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -93.96 140.12 14.89 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.8 m -147.57 151.56 36.48 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -137.04 134.66 36.8 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.17 -1.377 . . . . 0.0 109.103 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.531 HG12 ' ND1' ' A' ' 55' ' ' HIS . 24.9 t -157.7 165.15 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.265 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.415 ' N ' HG13 ' B' ' 66' ' ' VAL . 93.8 m -118.15 151.1 38.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -163.75 150.88 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -62.31 143.84 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.01 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 67.7 p -58.86 150.05 25.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.744 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 64.82 35.54 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.461 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.1 m80 -157.07 69.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' B' ' 74' ' ' ILE . 8.1 t80 -170.93 146.15 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.063 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.475 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 8.7 tt -166.48 130.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -118.71 137.49 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' B' ' 22' ' ' VAL . 3.2 p90 -167.23 137.0 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.013 0.435 . . . . 0.0 112.17 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 8.6 m-85 -86.06 148.98 25.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' B' ' 6' ' ' ALA . 4.6 tt -157.14 136.24 11.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.483 . . . . 0.0 111.608 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' B' ' 80' ' ' GLN . . . 69.79 -82.66 0.3 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.483 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' B' ' 79' ' ' GLY . 71.4 mt-30 -161.8 33.37 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.805 0.335 . . . . 0.0 110.347 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.441 ' CG1' ' NH2' ' B' ' 60' ' ' ARG . 30.6 m -159.37 134.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -70.68 127.39 32.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.578 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.453 ' N ' HD12 ' B' ' 83' ' ' ILE . 4.7 mp -108.22 140.48 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.3 tp -136.06 135.41 39.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.775 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 55.3 tp -146.64 135.52 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.345 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.462 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.3 p90 -176.7 130.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.075 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.721 ' HB3' ' CG ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -105.73 171.07 7.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.284 0.564 . . . . 0.0 112.429 -179.053 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.4 t -143.06 136.11 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.703 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.388 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -158.37 136.39 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -76.06 120.57 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.9 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' VAL . 12.4 t -74.78 152.42 39.03 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.391 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.4 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -155.06 125.85 1.76 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.784 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.4 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.3 pp -161.39 144.08 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 0.0 112.259 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.474 ' HB3' ' HB2' ' B' ' 36' ' ' LYS . 17.1 pt20 -116.61 89.19 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.659 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.425 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 45.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.52 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.0 t70 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.692 0.282 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.435 ' N ' ' O ' ' B' ' 66' ' ' VAL . 13.7 t -79.99 142.76 34.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.588 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.419 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -144.87 125.76 2.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.88 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.3 pp -162.56 149.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 111.93 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.488 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 26.7 pt20 -132.69 127.61 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 51.4 t -114.98 142.98 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 111.037 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.521 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.11 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -95.67 136.9 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.361 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -76.52 134.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.793 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -115.83 -34.61 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -156.24 51.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.358 . . . . 0.0 111.342 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.8 141.29 53.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -157.69 74.82 0.76 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.317 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.461 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 61.1 mtt -156.27 -166.87 2.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.93 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.4 m -86.74 38.96 0.82 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.278 0.474 . . . . 0.0 112.278 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 65.31 -59.67 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -59.22 -41.36 88.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.37 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.461 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 63.3 mtt -60.51 -51.0 71.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.394 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' CB ' HD13 ' A' ' 74' ' ' ILE . 16.1 pt20 -61.21 -37.47 83.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.807 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -61.63 -41.62 97.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.08 -37.37 81.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.515 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 m -68.16 -42.85 79.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.923 0.392 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.52 -45.68 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.594 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.71 -42.17 78.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.039 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.12 -34.41 77.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.731 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -68.59 -39.85 80.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.374 0.607 . . . . 0.0 109.753 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.5 m -58.65 -45.49 89.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.155 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.42 -42.44 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.726 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' HB2' HD13 ' A' ' 42' ' ' ILE . . . -51.9 -46.6 64.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.658 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 66.2 mt -59.2 -52.75 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.25 0.548 . . . . 0.0 110.798 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.01 -31.36 72.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.93 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 98.2 mttt -78.9 -37.36 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.785 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 42.4 m-85 -145.82 -53.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 42.5 t30 62.5 32.32 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.468 . . . . 0.0 110.058 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.673 ' O ' ' N ' ' A' ' 36' ' ' LYS . 40.3 mm -101.02 25.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' N ' HD13 ' A' ' 38' ' ' ILE . 56.2 mt-10 55.76 -66.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.639 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.5 ttpm? -59.71 -54.2 49.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.325 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -55.19 -34.58 64.0 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.015 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.477 HD13 ' N ' ' A' ' 35' ' ' GLU . 2.0 mp -57.53 -59.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.618 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.56 68.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.071 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -66.02 -62.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -64.43 -47.56 78.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.742 -178.634 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 74.9 mt -55.73 -47.86 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.654 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.425 ' CE ' ' HB3' ' B' ' 65' ' ' TYR . 24.9 ttpp -59.08 -50.67 73.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -55.62 -44.44 77.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -57.84 -47.16 83.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.724 0.297 . . . . 0.0 111.218 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.484 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 36.3 m-85 -65.95 -43.37 88.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.2 m-20 -59.88 -42.66 94.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 111.326 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -77.04 -41.15 43.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.939 -179.352 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.8 -64.88 1.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.54 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 2.9 m-85 -79.81 -17.9 52.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.528 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.7 m120 95.29 141.87 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.606 0 C-N-CA 122.853 0.461 . . . . 0.0 110.249 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.408 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 20.5 Cg_endo -60.55 169.39 5.47 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.556 2.17 . . . . 0.0 112.899 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 13.0 t -117.37 112.73 21.11 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 111.289 0.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.658 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 21.5 m95 -88.38 134.35 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.471 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.49 ' HD1' HG13 ' B' ' 66' ' ' VAL . 36.6 m-70 -109.24 131.96 54.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.73 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 47.9 t -137.35 147.29 45.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.314 0.578 . . . . 0.0 112.291 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 41.3 mt -152.13 145.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.803 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.6 t -150.77 136.0 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 111.474 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.18 -134.35 2.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.007 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.4 ptt180 -174.27 39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.634 0.254 . . . . 0.0 111.634 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.532 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 1.0 OUTLIER 170.35 79.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.515 ' CD2' ' CD2' ' B' ' 62' ' ' PHE . 4.7 p90 -173.49 130.97 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -94.15 137.21 13.41 Favored Glycine 0 C--O 1.228 -0.267 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.421 ' HB3' HG23 ' B' ' 57' ' ' ILE . 83.3 p -144.63 147.19 32.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 117.914 0.857 . . . . 0.0 113.253 -178.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.448 ' CE1' ' HD2' ' B' ' 43' ' ' LYS . 3.6 t80 -127.67 133.83 49.62 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.609 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 24.9 t -155.87 168.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 96.1 m -118.54 146.47 44.54 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' C' ' 4' ' ' THR . 30.5 p80 -161.59 141.86 10.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.975 0.417 . . . . 0.0 111.944 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.24 150.48 45.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.764 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.8 p -58.79 151.54 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.859 0.361 . . . . 0.0 111.437 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.654 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.88 38.29 9.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.517 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.497 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 84.4 m-70 -164.79 53.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.526 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.7 t80 -162.91 147.37 11.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.252 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 7.8 tt -164.98 141.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.625 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -137.59 131.7 32.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.144 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.0 p90 -160.56 141.05 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.423 . . . . 0.0 111.867 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 5.7 m-85 -77.58 149.72 34.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 38.7 tp -170.0 140.61 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 111.536 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.6 41.63 74.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.443 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.407 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 73.1 mt-30 57.31 35.99 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.806 0.336 . . . . 0.0 110.97 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 27.1 m -159.18 133.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.94 129.9 39.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.34 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 51.7 mt -112.32 139.01 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.7 tp -127.86 141.74 51.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.8 tp -157.73 138.32 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.152 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.526 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 11.1 p90 179.24 131.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.504 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.64 170.38 9.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 111.78 -178.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 -179.793 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.688 0.28 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.493 ' CG2' ' HB2' ' B' ' 77' ' ' TYR . 27.7 m -87.02 141.03 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.589 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.464 HG12 ' HB3' ' B' ' 76' ' ' PHE . 21.6 mt -109.96 134.11 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 111.631 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.6 ' HE2' ' HA ' ' B' ' 9' ' ' LYS . 7.1 mmpt? -110.91 -36.94 5.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.361 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -132.36 143.71 50.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.48 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.55 140.17 22.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.952 0.406 . . . . 0.0 111.189 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -156.5 53.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 15.4 ptp -166.45 150.75 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.2 m -44.23 146.12 0.7 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.503 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.462 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 65.3 mm-40 -46.27 -42.33 14.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.581 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.471 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -63.04 -41.97 99.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.355 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.421 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 80.0 mtp -65.86 -47.8 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.015 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 16.6 pt20 -64.7 -38.27 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.437 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.3 pt20 -71.48 -39.5 70.85 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.418 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.423 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.7 t70 -64.44 -38.8 92.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 -44.07 90.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 109.972 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.41 ' HA ' ' CE2' ' B' ' 76' ' ' PHE . 51.2 t -65.41 -45.06 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.325 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 19' ' ' GLN . 56.8 mt-10 -64.33 -45.27 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.555 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.23 -36.69 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.2 77.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.262 0.553 . . . . 0.0 109.848 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.6 m -60.98 -44.42 97.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.465 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -60.33 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.369 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.12 -41.88 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.406 ' CD2' HD11 ' B' ' 38' ' ' ILE . 51.1 mt -63.63 -53.35 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.58 -28.62 67.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.472 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.3 mttt -87.67 -18.55 29.3 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.513 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 56.7 m-85 -146.5 -39.57 0.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' B' ' 32' ' ' TYR . 73.9 m-80 69.33 48.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.833 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.518 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.1 mt -141.76 125.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -53.76 -52.13 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.575 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -57.16 -55.09 39.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.123 0.487 . . . . 0.0 111.32 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -50.47 -43.23 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.047 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 34' ' ' ILE . 96.8 mt -50.67 -47.66 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 111.538 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.53 -38.79 91.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.768 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.74 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.513 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 68.4 m-70 -64.0 -54.03 40.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.4 HD12 ' CG2' ' B' ' 38' ' ' ILE . 54.2 mt -59.03 -45.36 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.657 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.452 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 14.2 tmtt? -57.89 -53.56 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.052 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.31 -47.91 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.13 -46.98 72.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.6 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 25.6 m-85 -64.97 -41.81 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.2 m-20 -56.53 -37.21 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.166 0.507 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.502 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 3.4 tmtp? -72.78 -41.38 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.434 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -84.58 -61.38 1.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.0 m-85 -84.63 -18.89 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.2 t30 92.36 135.99 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.434 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 9.8 Cg_endo -52.96 169.31 0.39 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.858 2.372 . . . . 0.0 113.112 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.9 t -114.11 126.84 55.54 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.291 0.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.657 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 25.4 m95 -101.76 130.73 48.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.246 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 23.6 m-70 -111.03 141.67 44.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 45.6 t -146.77 144.29 29.27 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.466 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.493 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 2.4 mp -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.907 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' GLY . 59.5 t -156.87 133.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 110.985 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.39 -138.2 3.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -175.08 34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.633 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 1.0 OUTLIER 168.53 79.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.375 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.515 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 5.0 p90 -173.3 133.67 0.51 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.92 0.39 . . . . 0.0 111.793 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.43 138.63 18.65 Favored Glycine 0 C--O 1.228 -0.265 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.413 ' HB3' HD12 ' D' ' 6' ' ' ILE . 47.7 t -140.64 144.91 35.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.202 1.001 . . . . 0.0 113.596 -178.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 12.4 m-85 -137.44 132.94 34.12 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.154 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.678 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 32.2 t -157.21 161.71 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-O 120.716 0.293 . . . . 0.0 111.77 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 53.7 m -113.27 143.05 45.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -157.27 137.45 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 112.137 -178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -53.99 140.5 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.098 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -54.01 149.61 9.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.418 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 65.48 35.0 7.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.444 ' HB3' ' HG3' ' B' ' 87' ' ' LYS . 62.7 m80 -157.85 69.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.595 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.49 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 6.7 t80 -173.42 147.98 1.54 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.254 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 7.9 tt -166.33 134.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.413 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -120.61 137.11 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.73 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.464 ' HB3' HG12 ' B' ' 8' ' ' ILE . 1.7 p90 -168.47 134.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.854 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.493 ' HB2' ' CG2' ' B' ' 7' ' ' VAL . 69.0 m-85 -80.63 147.4 30.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.492 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 39.6 tp -165.45 141.42 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.241 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 41.71 81.03 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.391 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 56.12 36.11 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.789 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -158.61 131.86 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.823 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.73 142.8 53.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.387 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.1 mt -132.79 134.69 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.464 ' CD1' ' CZ ' ' B' ' 73' ' ' PHE . 46.4 tp -136.02 142.25 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' B' ' 46' ' ' PHE . 63.4 tp -147.06 146.19 29.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 8.2 p90 -177.71 139.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.742 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.657 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -106.3 157.11 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.435 . . . . 0.0 111.612 -179.384 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 43.7 t -125.63 134.55 51.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.748 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.483 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -158.04 150.48 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.485 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.516 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.6 p30 -73.37 129.97 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.684 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.453 ' HB ' ' CD2' ' A' ' 68' ' ' HIS . 10.6 t -84.05 135.06 34.57 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.448 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.401 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -129.35 120.52 3.22 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.734 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.0 pp -162.57 155.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.994 0.425 . . . . 0.0 111.639 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.462 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 25.6 pt20 -154.75 119.04 4.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.942 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 44.5 t . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.678 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 111.443 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.468 ' N ' ' O ' ' B' ' 66' ' ' VAL . 15.0 t -70.52 146.57 50.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.402 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -146.78 126.47 2.46 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.105 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' D' ' 6' ' ' ILE . 2.6 pp -160.11 142.59 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 111.712 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -113.95 90.34 3.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.111 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 59.6 t -69.58 141.38 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.9 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.647 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.778 0.323 . . . . 0.0 111.709 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.8 m -90.25 138.79 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.573 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.8 mp -78.49 147.27 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 31.2 mmmt -132.36 -37.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.619 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -147.58 50.92 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 111.673 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.65 144.35 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.574 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -163.6 57.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.339 . . . . 0.0 111.577 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 ptp -167.97 -174.75 2.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -58.25 143.61 43.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.3 pt-20 -53.45 -46.04 69.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.369 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.4 -42.63 99.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.433 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 66.2 mtt -60.2 -50.31 74.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.799 0.333 . . . . 0.0 111.265 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 15.8 pt20 -63.18 -39.86 95.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 96.6 mm-40 -66.63 -41.45 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.549 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.78 -36.38 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.568 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.5 t -67.95 -42.6 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.54 -47.69 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.58 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.02 -43.64 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.952 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.4 t -63.73 -33.52 75.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.455 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -69.24 -39.24 78.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 109.707 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.7 m -57.67 -48.51 79.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.098 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.14 -36.28 79.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.566 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -57.1 -39.2 74.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.013 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.401 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 58.8 mt -70.07 -45.73 66.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.976 0.417 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.86 -33.55 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.295 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.31 -37.12 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.255 0.55 . . . . 0.0 110.491 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.595 ' C ' ' H ' ' A' ' 34' ' ' ILE . 6.2 m-85 -135.78 85.33 2.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.974 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -67.65 24.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.495 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.595 ' H ' ' C ' ' A' ' 32' ' ' TYR . 60.9 mt -114.61 131.58 66.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.34 -51.98 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.659 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 3.7 ttpm? -59.46 -56.33 23.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.124 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 56.5 m-20 -51.06 -43.19 60.93 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.482 HG23 HD12 ' A' ' 42' ' ' ILE . 65.8 mt -49.1 -53.5 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.091 0.472 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -65.89 -28.11 68.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.941 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.77 -60.68 2.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -63.1 -47.13 84.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.556 -178.797 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.482 HD12 HG23 ' A' ' 38' ' ' ILE . 82.2 mt -57.84 -46.1 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.741 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -58.87 -51.09 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.647 -179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 68.0 mttm -54.23 -44.38 71.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 53.0 mm-40 -57.16 -50.72 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.682 0.277 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.528 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.8 m-85 -66.36 -43.99 84.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 111.467 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 60.7 t0 -54.11 -41.98 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -76.72 -42.63 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.952 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 66.7 mttm -79.01 -70.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.564 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 7.0 m-30 -73.26 -14.57 61.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.74 146.36 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 C-N-CA 122.959 0.503 . . . . 0.0 110.548 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.439 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 37.0 Cg_endo -67.71 170.18 14.48 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.33 2.02 . . . . 0.0 112.909 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -114.2 126.02 54.59 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 122.626 0.37 . . . . 0.0 110.873 -0.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 24.3 m95 -99.08 135.22 40.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.313 0.578 . . . . 0.0 112.449 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 24.2 m-70 -115.03 134.08 55.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.9 t -137.54 140.74 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 112.428 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.478 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 2.2 mp -132.66 151.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -155.02 134.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.256 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.27 -134.52 2.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.146 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.0 ptt85 -178.53 38.01 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.668 0.271 . . . . 0.0 111.438 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 165.07 81.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.129 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CZ ' HG23 ' A' ' 57' ' ' ILE . 4.0 p90 -170.8 136.85 1.21 Allowed 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.18 143.3 16.5 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.9 m -159.09 149.63 19.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' C' ' 3' ' ' ASP . 4.2 t80 -125.99 135.55 51.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.543 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' C' ' 4' ' ' THR . 20.4 t -154.42 164.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.586 0.232 . . . . 0.0 111.514 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 90.2 m -117.27 153.67 32.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 25.9 p80 -163.86 142.69 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 112.077 -178.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.82 144.89 42.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.96 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.0 p -55.39 150.51 11.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.237 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 11.0 mmpt? 62.38 38.58 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.21 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.445 ' CE1' ' HD3' ' A' ' 87' ' ' LYS . 90.9 m-70 -158.51 56.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.622 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CE1' ' OG1' ' C' ' 4' ' ' THR . 32.9 t80 -155.69 140.55 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.994 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.8 tt -165.27 141.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -139.84 136.11 33.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.872 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 9.0 p90 -164.67 139.17 5.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.142 0.496 . . . . 0.0 112.17 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.8 m-85 -79.43 153.23 29.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 33.5 tp -158.68 131.6 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.008 0.433 . . . . 0.0 112.019 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.95 -65.57 0.19 Allowed Glycine 0 C--N 1.333 0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.02 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 19.0 pt20 178.95 37.23 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.402 . . . . 0.0 110.028 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 27.3 m -158.91 137.52 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.9 137.89 52.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.015 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.7 mt -121.2 132.26 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.0 tp -128.63 139.83 52.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.6 tp -152.39 139.19 18.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.699 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 16.5 p90 -172.53 133.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.325 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.529 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 21.0 ptmt -102.59 151.47 22.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 111.048 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.751 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' B' ' 77' ' ' TYR . . . . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.9 m -105.63 138.18 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.282 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.6 mp -81.46 145.05 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.842 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -131.26 -35.48 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.714 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -144.81 54.24 1.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.893 0.378 . . . . 0.0 111.472 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.69 144.85 30.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -167.23 59.38 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.374 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 50.2 ttp -175.19 163.52 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.711 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.5 m -43.05 138.13 2.21 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.645 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.47 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.0 mt-10 -50.65 -43.98 57.36 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.348 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 65.1 mtt -66.41 -45.37 80.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.707 0.289 . . . . 0.0 111.259 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.1 pt20 -66.43 -36.98 84.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.404 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.1 pt20 -71.69 -40.88 69.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.795 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.61 -37.06 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.858 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -66.63 -40.91 88.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.88 0.372 . . . . 0.0 110.339 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.419 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 64.0 t -65.2 -49.86 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.689 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.3 -41.15 90.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.864 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 44.9 t -60.94 -32.88 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.545 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.516 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -70.37 -40.86 73.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.198 0.523 . . . . 0.0 109.955 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.2 m -59.95 -44.62 94.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.179 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -59.63 -42.44 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.89 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.424 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . . . -54.09 -47.23 71.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.169 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.405 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 61.0 mt -60.82 -44.58 96.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.86 -33.76 76.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.736 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' B' ' 32' ' ' TYR . 7.3 ptpp? -85.8 -38.86 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.434 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 48.1 m-85 -119.9 -43.91 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.66 45.02 3.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.959 0.409 . . . . 0.0 110.174 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.539 ' O ' HG13 ' B' ' 38' ' ' ILE . 44.8 mm -147.1 116.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' B' ' 35' ' ' GLU . 0.8 OUTLIER -42.98 -41.11 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.099 -179.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -62.09 -56.41 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.383 . . . . 0.0 111.337 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -60.68 -40.92 93.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.001 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.539 HG13 ' O ' ' B' ' 34' ' ' ILE . 90.2 mt -48.18 -59.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.935 0.398 . . . . 0.0 111.574 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -23.07 67.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.15 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.433 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -66.51 -63.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.512 ' HA ' ' HD3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -67.43 -42.62 82.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.747 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 82.9 mt -59.73 -47.32 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.653 0.263 . . . . 0.0 111.503 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -62.57 -52.02 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.868 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.512 ' HD3' ' HA ' ' B' ' 41' ' ' HIS . 20.9 ptmt -58.44 -40.18 81.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -58.69 -52.49 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.605 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 47.8 m-85 -65.13 -45.58 84.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 0.0 110.788 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' B' ' 52' ' ' PRO . 9.6 t0 -51.04 -39.45 55.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -80.8 -42.85 21.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.0 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -75.09 -58.02 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.56 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.9 m-85 -85.85 -12.62 50.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 91.81 143.61 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.414 0 C-N-CA 122.838 0.455 . . . . 0.0 110.336 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.45 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 20.8 Cg_endo -60.99 168.49 7.26 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.44 2.093 . . . . 0.0 112.696 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.431 HG22 ' CE1' ' B' ' 55' ' ' HIS . 12.5 t -117.17 125.96 52.03 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 122.925 0.49 . . . . 0.0 110.961 0.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.553 ' CE2' ' HB3' ' B' ' 46' ' ' PHE . 25.7 m95 -97.83 148.83 23.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.013 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.431 ' CE1' HG22 ' B' ' 53' ' ' THR . 11.7 m-70 -134.0 138.51 45.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.171 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 83.3 m -143.87 144.46 31.76 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.43 ' N ' ' CD1' ' B' ' 57' ' ' ILE . 2.3 mp -132.33 144.32 37.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.47 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 49.0 t -154.19 136.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.907 0.384 . . . . 0.0 111.645 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.09 -138.07 4.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.418 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 85.8 mtm180 -159.42 27.53 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.326 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 10.1 t-20 175.73 77.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.451 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 62' ' ' PHE . 11.4 p90 -156.36 138.98 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.455 0.645 . . . . 0.0 112.213 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.599 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -120.38 136.23 11.4 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 57' ' ' ILE . 79.6 p -156.6 156.65 33.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.1 t80 -125.53 133.21 52.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 113.8 -1.545 . . . . 0.0 107.778 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' D' ' 4' ' ' THR . 14.0 t -153.24 163.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.723 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.426 ' N ' HG13 ' B' ' 66' ' ' VAL . 92.4 m -115.94 154.3 30.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.4 p80 -164.77 143.13 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.036 0.446 . . . . 0.0 111.685 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -54.5 141.94 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.945 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -53.75 151.41 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.341 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 62.85 39.46 10.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -159.3 69.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.588 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.506 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 29.3 t80 -163.82 143.75 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.072 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.445 HD13 HG21 ' B' ' 74' ' ' ILE . 10.5 tt -163.87 142.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.632 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -141.62 135.55 30.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.434 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' B' ' 22' ' ' VAL . 7.0 p90 -168.64 143.05 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.068 0.461 . . . . 0.0 111.765 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.556 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 4.5 m-85 -82.82 152.11 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.351 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.485 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 39.4 tp -170.12 140.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.953 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.01 38.43 60.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 58.42 39.16 25.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 0.0 111.197 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.416 HG11 ' HD3' ' B' ' 60' ' ' ARG . 31.6 m -156.4 133.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.944 0.402 . . . . 0.0 111.081 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.97 134.23 48.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.459 HD11 HG21 ' B' ' 83' ' ' ILE . 58.2 mt -120.37 142.18 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.0 tp -138.67 142.62 39.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -158.27 145.2 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.506 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 9.3 p90 179.89 136.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.8 ptmt -101.95 170.23 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 42.3 t -147.87 132.22 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.777 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.48 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 81.8 mtp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.481 ' HB3' ' NZ ' ' C' ' 2' ' ' LYS . 8.5 mtpm? -155.54 130.81 9.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.1 p30 -81.89 123.09 28.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.149 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.45 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 10.9 t -88.75 144.1 26.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.927 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.12 135.56 7.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.635 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -151.21 170.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.45 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.52 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.3 pt20 -162.62 69.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.817 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.474 ' HB2' ' CE1' ' B' ' 65' ' ' TYR . 11.9 p-10 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.873 0.368 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.468 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 14.9 t -85.39 146.68 26.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.85 128.41 2.78 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.372 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -161.47 145.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.423 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.599 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 23.0 pt20 -137.56 85.39 2.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.985 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.87 141.24 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 0.0 110.853 -179.633 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.122 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 26.4 m -100.21 136.26 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 121.029 0.442 . . . . 0.0 111.307 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -97.76 142.85 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.85 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 14.8 ptmm? -148.03 23.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.819 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 47.0 m-80 -171.47 44.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.7 136.91 57.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -158.71 54.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.1 ttp -172.57 164.56 5.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.396 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.405 ' HB2' ' HG3' ' A' ' 17' ' ' MET . 64.4 m -42.01 137.74 1.75 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.422 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 94.6 mt-10 -51.06 -48.63 61.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.745 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.52 -42.86 99.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.405 ' HG3' ' HB2' ' A' ' 14' ' ' SER . 89.4 mtp -62.83 -48.19 80.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.183 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 17.3 pt20 -65.58 -37.73 87.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.857 0.36 . . . . 0.0 110.533 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -64.97 -40.45 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.54 -37.73 83.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -67.11 -42.61 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.878 0.37 . . . . 0.0 110.095 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 47.3 t -65.23 -48.08 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.427 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.82 -41.27 87.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.87 -31.86 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.81 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.506 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -69.95 -41.25 74.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.218 0.532 . . . . 0.0 109.956 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.0 m -60.0 -44.5 94.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.301 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.59 -41.01 93.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.045 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . . . -55.55 -46.23 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.316 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 61.7 mt -62.18 -46.12 90.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.522 . . . . 0.0 111.064 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.15 -33.87 76.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.651 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HE3' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -86.42 -38.17 17.62 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.115 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CE2' ' HE3' ' A' ' 31' ' ' LYS . 40.0 m-85 -119.54 -47.23 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 65.08 46.81 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.911 0.386 . . . . 0.0 110.418 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.6 mt -149.55 134.6 10.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -44.93 -59.84 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.936 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' D' ' 7' ' ' GLN . 35.7 ttpt -55.09 -57.49 11.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.225 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.414 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 57.4 m-20 -51.23 -44.52 61.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 34' ' ' ILE . 87.0 mt -51.35 -57.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.04 0.447 . . . . 0.0 111.1 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.7 -21.33 65.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.03 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' CB ' ' CE2' ' B' ' 65' ' ' TYR . . . -67.6 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -41.73 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.511 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 76.6 mt -61.22 -47.88 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.509 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' B' ' 65' ' ' TYR . 35.2 ttpt -61.21 -52.72 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.714 0.292 . . . . 0.0 110.873 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.12 -42.84 81.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.536 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.28 -49.34 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.259 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.492 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.2 m-85 -65.25 -42.98 92.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.695 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 63.4 m-20 -56.4 -36.18 68.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 0.0 111.348 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -82.7 -39.87 21.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.85 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -59.27 2.85 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.541 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 5.6 m-85 -87.52 -17.67 31.54 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.541 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.7 m120 96.63 144.54 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 122.952 0.501 . . . . 0.0 110.331 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 27.4 Cg_exo -62.46 167.13 11.88 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.481 2.121 . . . . 0.0 112.968 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 14.8 t -116.25 126.46 53.61 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 0.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.9 m95 -99.81 134.78 42.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.332 0.587 . . . . 0.0 111.997 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 19.7 m-70 -112.16 133.6 54.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.98 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 50.0 t -136.48 141.8 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 0.0 112.233 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 2.5 mp -134.68 149.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.126 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.6 t -155.47 134.98 3.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.061 0.457 . . . . 0.0 111.413 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.16 -136.18 3.59 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.216 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.0 ptt85 -179.34 40.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.417 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 169.11 74.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.233 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.497 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 32.4 p90 -171.54 136.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.994 0.426 . . . . 0.0 111.903 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.75 126.71 7.69 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.4 ' HB2' HD11 ' C' ' 6' ' ' ILE . 48.1 m -114.02 144.32 43.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.509 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 8.3 t80 -151.57 122.46 7.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.542 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 46.8 t -157.0 165.04 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 87.2 m -112.45 149.36 32.7 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' C' ' 2' ' ' LYS . 26.4 p80 -161.51 146.84 13.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.264 0.554 . . . . 0.0 112.307 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -59.38 141.77 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.98 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.0 p -55.1 151.96 8.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.444 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.655 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.76 39.1 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.28 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 92.2 m-70 -160.62 62.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.81 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.478 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 34.3 t80 -157.23 140.95 15.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.298 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 18' ' ' GLN . 9.2 tt -164.44 139.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.595 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.525 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 53.4 t80 -136.13 136.55 40.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.604 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.2 p90 -165.27 139.85 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 111.785 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.6 m-85 -75.28 148.68 39.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.77 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.489 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 33.5 tp -170.43 139.68 1.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.902 0.382 . . . . 0.0 111.531 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.99 42.74 87.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.508 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER 54.11 35.21 21.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 110.686 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.7 m -158.28 134.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.412 ' HB3' ' CE1' ' A' ' 77' ' ' TYR . . . -70.78 131.59 44.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.397 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -116.44 134.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.484 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.7 tp -129.13 143.42 50.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.4 tp -153.65 144.44 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 10.5 p90 178.61 133.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 13.5 ptmm? -98.35 170.34 8.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.063 0.458 . . . . 0.0 111.764 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.701 179.812 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.49 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 120.821 0.343 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 20.6 m -95.3 136.24 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.417 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.416 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -80.63 132.04 32.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.75 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -109.44 -34.15 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.053 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -156.24 54.29 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.217 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.403 ' CB ' HG23 ' B' ' 8' ' ' ILE . . . -57.01 143.12 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -175.16 62.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.723 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.761 ' O ' ' HB2' ' B' ' 17' ' ' MET . 52.8 ttp -171.2 56.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.544 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 38.3 t 61.26 135.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 111.461 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 56.1 mt-10 -56.7 -51.34 69.19 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.897 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 0.0 110.951 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.761 ' HB2' ' O ' ' B' ' 13' ' ' MET . 87.8 mtp -65.0 -50.63 65.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 14' ' ' SER . 18.0 pt20 -64.58 -37.08 86.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.545 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' B' ' 15' ' ' GLU . 78.8 mt-30 -65.38 -39.97 92.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.802 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.401 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.2 t70 -64.64 -39.61 94.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -65.39 -41.67 93.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' B' ' 6' ' ' ALA . 64.6 t -64.39 -47.12 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.28 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.77 -47.22 81.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 86.8 m -62.22 -28.37 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.09 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -71.77 -42.43 67.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 109.941 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -59.88 -46.64 88.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.88 -46.75 88.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' B' ' 38' ' ' ILE . . . -54.24 -34.71 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.201 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.31 -52.95 27.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.502 ' HG3' ' CD ' ' B' ' 31' ' ' LYS . 12.3 pt-20 -70.64 -26.28 63.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.728 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.502 ' CD ' ' HG3' ' B' ' 30' ' ' GLU . 0.4 OUTLIER -85.16 -37.67 19.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.767 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.411 ' N ' ' CD1' ' B' ' 32' ' ' TYR . 2.5 m-85 -121.11 -47.23 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 111.669 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' B' ' 33' ' ' ASN . 22.1 t-20 65.57 45.88 2.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.205 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.534 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.0 mt -152.29 122.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.503 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -47.11 -48.25 23.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.127 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.52 -56.66 15.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.169 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -57.06 -47.72 80.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 34' ' ' ILE . 89.0 mt -47.85 -52.81 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.931 0.396 . . . . 0.0 111.721 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.75 -25.09 68.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.97 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -70.11 -58.88 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.448 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -65.59 -46.52 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.504 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 66.8 mt -61.67 -42.58 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.324 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 81.7 tttt -59.86 -51.85 67.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -56.68 -44.54 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.04 -46.57 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.474 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.3 m-85 -66.68 -40.78 88.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.543 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 57.8 m-20 -57.27 -43.53 83.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 0.0 110.867 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.8 77.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.514 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -79.44 -70.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.553 ' O ' ' HB3' ' B' ' 51' ' ' ASN . 7.3 m-30 -73.84 -14.39 61.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.553 ' HB3' ' O ' ' B' ' 50' ' ' TYR . 23.8 t-20 93.11 140.31 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 122.78 0.432 . . . . 0.0 110.752 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.98 169.28 12.14 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.437 2.091 . . . . 0.0 112.631 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.431 HG22 ' CE1' ' B' ' 55' ' ' HIS . 11.9 t -116.55 127.52 54.59 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 122.931 0.492 . . . . 0.0 110.771 0.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 27.0 m95 -94.75 126.41 40.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 112.356 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.48 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 26.7 m-70 -98.83 141.65 31.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.024 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.2 t -148.29 148.6 30.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 112.806 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 58.4 mt -151.39 142.62 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.395 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 45.0 t -150.01 142.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.071 0.463 . . . . 0.0 111.607 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.91 -127.63 1.28 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -174.82 38.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.771 -0.253 . . . . 0.0 111.388 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 164.35 82.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.847 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.49 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 15.2 p90 -164.66 133.89 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.243 0.544 . . . . 0.0 111.913 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -109.35 136.33 13.49 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.472 ' HB3' HG22 ' A' ' 57' ' ' ILE . 80.5 p -161.76 159.44 27.14 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.455 ' CE2' ' CB ' ' A' ' 40' ' ' ALA . 25.7 m-85 -126.97 142.04 51.65 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 114.046 -1.433 . . . . 0.0 109.443 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 24.9 t -155.56 166.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.4 m -112.97 152.4 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.438 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.6 p80 -161.44 140.31 9.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.139 0.495 . . . . 0.0 111.661 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.401 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 17.7 tp10 -56.43 160.45 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.292 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.0 p -55.47 141.91 34.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.907 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.514 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 60.81 21.97 12.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.623 179.47 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 52.1 m170 -124.65 69.79 1.11 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.713 0.292 . . . . 0.0 110.38 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.535 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 19.7 t80 -159.88 138.08 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.406 ' CD1' ' HB2' ' B' ' 18' ' ' GLN . 8.6 tt -160.59 141.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.179 0.514 . . . . 0.0 111.706 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.407 ' OH ' ' CG2' ' D' ' 8' ' ' VAL . 4.4 t80 -145.63 136.96 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.313 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.9 p90 -163.93 140.59 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.053 0.454 . . . . 0.0 111.879 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 14.2 m-85 -81.11 144.52 31.63 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.49 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 43.8 tp -170.4 142.09 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 111.598 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.0 40.89 75.3 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.573 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 54.63 37.47 28.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 28.5 m -157.88 132.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.13 135.06 46.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.189 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.436 HD13 HG23 ' B' ' 83' ' ' ILE . 55.4 mt -118.77 141.3 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 63.0 tp -136.26 140.39 43.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 62.5 tp -154.44 145.5 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.535 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 13.0 p90 178.48 130.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.4 ptmm? -93.06 170.41 9.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.481 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -151.55 133.69 15.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.555 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.498 ' CE ' ' HA ' ' C' ' 1' ' ' MET . 10.2 mmt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.684 0.278 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 47.0 mmtm -79.39 135.05 36.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.091 0.472 . . . . 0.0 111.266 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.542 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 22.5 m-20 -102.44 113.06 26.08 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.628 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' VAL . 42.5 m -73.18 144.44 46.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.154 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.466 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -157.82 123.96 1.34 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.083 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.7 pp -162.24 142.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.102 0.477 . . . . 0.0 111.721 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' C' ' 7' ' ' GLN . 22.2 pt20 -97.41 94.64 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.317 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.423 ' CG2' ' CD1' ' C' ' 6' ' ' ILE . 47.7 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.53 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 2.1 p30 . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 121.071 0.462 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.438 ' HB ' ' CD2' ' B' ' 68' ' ' HIS . 15.3 t -83.97 146.84 27.79 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.422 ' HA3' ' CE1' ' B' ' 65' ' ' TYR . . . -149.79 131.16 3.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.228 -0.987 . . . . 0.0 112.369 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pp -160.28 138.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.09 0.471 . . . . 0.0 111.937 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 22.3 pt20 -117.02 76.73 1.06 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.534 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.407 ' CG2' ' OH ' ' B' ' 75' ' ' TYR . 43.7 t -69.46 138.42 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.687 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.565 0.222 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.497 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 34.0 m -70.6 140.74 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.693 0.283 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' A' ' 76' ' ' PHE . 20.4 mt -125.67 137.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.077 0.465 . . . . 0.0 112.142 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -113.17 -52.49 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.909 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -101.64 143.99 30.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.129 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.75 51.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.305 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.42 57.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.981 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 53.5 ttp -165.68 160.96 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.237 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -44.38 141.74 1.79 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.607 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.488 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.4 pt-20 -53.89 -47.28 71.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.861 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 12.5 pt-20 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.247 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.411 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 64.7 mtt -61.96 -48.42 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 15.2 pt20 -63.75 -39.59 94.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -66.7 -39.55 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.678 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -63.57 -35.61 81.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.683 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -67.64 -44.28 78.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.902 0.382 . . . . 0.0 110.178 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.66 -46.89 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.655 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.24 -44.18 76.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.201 0.524 . . . . 0.0 110.118 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.6 t -65.71 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.729 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -69.75 -38.12 76.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 109.819 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.2 m -60.59 -48.44 81.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.314 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 84.9 mt-30 -58.7 -40.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.91 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HB1' HG12 ' A' ' 38' ' ' ILE . . . -55.39 -44.91 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.185 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.3 -49.57 76.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 pt-20 -68.74 -30.13 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -83.24 -34.11 25.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.884 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -128.28 -45.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.741 -0.384 . . . . 0.0 112.009 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 66.51 45.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.3 mt -151.25 124.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 11.7 pm0 -45.73 -44.26 13.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.717 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 16.7 ttpp -66.78 -53.31 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.0 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.455 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 29.1 m-20 -56.0 -45.22 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.383 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 34' ' ' ILE . 89.8 mt -51.87 -52.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -65.38 -28.88 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.173 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -61.21 -48.95 79.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.255 -178.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 65.0 mt -58.66 -39.41 76.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 3.3 tppp? -58.14 -52.44 65.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.32 -41.21 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.456 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.0 mm-40 -56.34 -50.37 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 111.164 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.43 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.3 m-85 -69.19 -46.41 67.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -55.31 -40.76 71.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 111.252 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -75.42 -42.7 52.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.172 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.0 mtpt -78.48 -70.27 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.556 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 6.9 m-30 -74.0 -14.36 61.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.8 m120 90.92 143.98 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 123.329 0.393 . . . . 0.0 110.364 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.459 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 38.0 Cg_endo -66.12 171.86 9.54 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.416 2.077 . . . . 0.0 112.798 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 12.3 t -115.46 123.09 47.71 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 122.649 0.379 . . . . 0.0 110.959 0.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.603 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.9 m95 -93.51 137.67 32.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.054 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.457 ' HD1' HG11 ' B' ' 66' ' ' VAL . 27.1 m-70 -111.38 134.55 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 46.5 t -134.47 147.27 50.35 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 40.7 mm -147.06 138.1 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.294 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.9 t -152.5 135.44 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.713 0.292 . . . . 0.0 111.228 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' O ' HG21 ' A' ' 81' ' ' VAL . . . 177.57 -140.66 4.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.753 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 58.9 mtt85 -159.33 36.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.482 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 19.5 t30 165.94 82.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.846 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.459 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 2.3 p90 -160.43 138.69 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.411 0.624 . . . . 0.0 112.601 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -120.78 133.76 9.89 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.418 ' CB ' ' HA ' ' B' ' 57' ' ' ILE . 79.6 p -159.28 167.01 30.02 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.419 ' CZ ' ' HB1' ' B' ' 40' ' ' ALA . 17.1 m-85 -134.66 144.01 47.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.604 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 6.2 t -156.27 161.84 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.939 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.1 m -117.84 145.57 44.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 28.6 p80 -164.64 147.82 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.144 0.497 . . . . 0.0 112.083 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -58.16 141.93 48.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.023 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.0 p -56.15 154.15 8.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.414 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER 61.7 40.88 12.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.486 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.434 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 91.2 m-70 -159.51 48.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.934 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.492 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 8.2 t80 -157.88 146.88 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.448 . . . . 0.0 111.505 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 7.4 tt -161.48 145.25 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 84' ' ' LEU . 2.2 t80 -138.9 134.92 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.487 ' CB ' HG12 ' A' ' 8' ' ' ILE . 9.3 p90 -165.44 142.16 5.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.497 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 4.2 m-85 -94.56 145.69 24.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.65 178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 80' ' ' GLN . 31.1 tp -151.53 139.02 19.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.035 0.445 . . . . 0.0 111.841 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.35 -64.57 0.16 Allowed Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.267 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' LEU . 17.3 pt20 178.63 37.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.771 0.32 . . . . 0.0 110.261 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -158.05 144.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 81' ' ' VAL . . . -80.52 135.2 36.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.594 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 83' ' ' ILE . 57.0 mt -125.01 143.24 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 73' ' ' PHE . 56.9 tp -137.17 140.0 41.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.933 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.0 tp -157.44 136.57 11.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.49 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.492 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.4 p90 -172.88 127.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 22.1 ptmt -92.72 167.41 11.9 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.1 0.476 . . . . 0.0 111.644 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.641 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.695 0.283 . . . . 0.0 111.615 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 29.8 m -101.62 137.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.732 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -82.94 144.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -128.76 -35.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.825 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -147.49 49.49 1.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 111.733 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.66 136.02 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.559 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -158.47 62.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 0.0 111.443 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.9 ptm -170.89 -174.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.1 m -55.65 136.84 50.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.453 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 55.8 mt-10 -54.98 -44.97 74.94 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.359 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.503 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -61.57 -41.74 97.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.257 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 66.3 mtt -65.7 -46.3 79.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.269 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 16.5 pt20 -66.46 -38.25 86.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.503 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.5 pt20 -72.42 -37.7 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.468 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.6 -37.77 77.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.8 t -67.53 -43.64 80.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.051 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.43 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 67.7 t -64.32 -47.17 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.11 -42.35 84.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.046 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -64.41 -33.95 77.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.652 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.501 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.47 -39.05 77.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 109.905 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 86.9 m -60.3 -45.06 94.68 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.173 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.415 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 25.6 mt-30 -60.37 -42.82 96.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.117 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.44 ' HB3' HG12 ' B' ' 38' ' ' ILE . . . -55.68 -42.53 75.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.194 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.422 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 50.2 mt -63.59 -48.64 76.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.573 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 11.9 pt-20 -68.64 -29.23 67.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.4 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -86.69 -36.41 18.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -113.8 -43.14 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 66.13 38.06 4.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 110.39 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.9 mt -153.75 123.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.555 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -47.19 -43.71 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.909 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -54.63 -57.44 11.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.911 0.386 . . . . 0.0 111.787 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.11 -40.2 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.057 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 34' ' ' ILE . 81.2 mt -50.05 -59.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.778 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -27.56 68.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 65' ' ' TYR . . . -66.85 -63.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.446 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -64.62 -45.67 85.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.468 -178.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.501 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 83.0 mt -59.54 -41.6 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.783 0.325 . . . . 0.0 111.26 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 5.2 ttpm? -60.41 -54.88 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.338 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.1 pttp -59.31 -39.54 83.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.293 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -56.09 -50.39 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.426 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.464 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 35.0 m-85 -64.57 -44.33 91.05 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.3 m-20 -61.08 -36.67 80.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 111.177 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 4.4 tmtt? -71.61 -43.89 65.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.012 0.435 . . . . 0.0 111.397 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.23 -59.35 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.515 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.5 m-85 -80.8 -21.49 40.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.665 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 61.2 m-20 92.7 140.91 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.39 0 C-N-CA 122.593 0.357 . . . . 0.0 110.181 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.85 167.82 1.4 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.419 2.079 . . . . 0.0 112.852 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 11.8 t -117.34 121.23 40.55 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 122.607 0.363 . . . . 0.0 111.236 0.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.641 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.4 m95 -98.38 134.32 41.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.239 0.542 . . . . 0.0 112.186 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' B' ' 53' ' ' THR . 21.6 m-70 -112.88 139.53 48.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.135 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 64' ' ' SER . 52.6 t -140.9 140.08 34.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 0.0 112.273 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.422 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 38.2 mm -131.83 144.05 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.93 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 49.1 t -155.96 140.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 121.015 0.436 . . . . 0.0 111.75 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.76 -143.57 7.4 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.608 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 84.8 mtm180 -161.04 31.16 0.14 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 168.16 81.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.202 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.447 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.4 p90 -169.09 148.08 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 112.302 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.47 133.33 11.38 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.43 ' HA ' HD11 ' A' ' 57' ' ' ILE . 59.4 m -122.94 146.85 47.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.43 ' CE1' ' OD1' ' D' ' 3' ' ' ASP . 9.7 t80 -150.24 125.74 10.22 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.927 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 47.8 t -157.85 163.69 1.22 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.352 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 86.3 m -112.57 151.9 29.5 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.423 ' CD2' ' OG1' ' D' ' 4' ' ' THR . 27.3 p80 -165.49 138.98 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.065 0.459 . . . . 0.0 111.624 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.47 158.01 27.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.602 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.8 p -56.44 151.99 12.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 111.76 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 63.97 37.37 9.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.229 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.503 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.0 m-70 -163.06 69.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.097 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.619 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 13.3 t80 -165.18 131.91 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.576 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.3 tt -156.38 140.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.229 0.538 . . . . 0.0 111.913 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -142.54 139.72 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.468 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.43 ' CZ ' ' HA ' ' B' ' 22' ' ' VAL . 7.6 p90 -168.9 143.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.148 0.499 . . . . 0.0 111.885 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -81.76 148.42 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.295 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 27.5 tp -167.06 139.11 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.194 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.2 39.51 71.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 57.81 36.07 26.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.789 0.328 . . . . 0.0 111.074 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' B' ' 78' ' ' LEU . 26.9 m -153.04 133.78 4.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.003 0.43 . . . . 0.0 110.867 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -69.88 135.82 49.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -127.22 138.76 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.2 tp -134.52 141.9 46.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.438 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.43 HD22 ' CE2' ' B' ' 46' ' ' PHE . 57.0 tp -156.76 144.49 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.391 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.619 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 8.1 p90 176.67 136.36 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.701 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.641 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.7 ptmm? -91.59 170.22 10.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.153 0.502 . . . . 0.0 111.562 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 44.8 t -142.19 128.72 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.805 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.481 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.88 0.371 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.06 130.89 44.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.527 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -78.75 109.48 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.307 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.459 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 12.7 t -71.23 145.71 49.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.238 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.421 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -146.91 123.16 1.72 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.966 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.421 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.4 pp -162.18 148.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 111.805 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.564 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 3.0 pp0? -147.17 145.72 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 50.5 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.504 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.3 t0 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 111.655 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.483 ' N ' ' O ' ' B' ' 66' ' ' VAL . 31.9 m -71.22 144.4 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.221 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -155.24 127.93 2.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.444 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.436 ' CD1' ' O ' ' D' ' 6' ' ' ILE . 2.6 pp -160.3 142.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -117.4 139.21 51.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -137.57 146.44 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.025 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.413 ' HA ' ' ND2' ' B' ' 61' ' ' ASN . 12.2 p-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.707 0.289 . . . . 0.0 111.477 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.0 m -87.78 139.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.528 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -96.85 125.69 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.18 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -92.22 -38.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.697 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -168.59 135.88 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.224 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.95 136.18 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 111.887 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' PHE . 55.6 m-20 -122.54 54.36 1.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.989 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.415 ' HG2' ' HB2' ' A' ' 17' ' ' MET . 43.7 ttm -138.1 153.84 49.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.904 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.3 m -45.15 141.14 2.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 95.1 mt-10 -53.42 -46.96 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.804 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.49 -43.98 96.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.415 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 61.2 mtt -60.02 -50.05 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.396 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 14.0 pt20 -59.44 -36.66 76.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.252 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.5 mm100 -62.73 -42.84 99.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.118 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.21 -36.05 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.546 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -67.32 -41.43 85.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.85 -50.69 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.263 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.38 -44.74 90.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.804 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.04 -32.05 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -69.35 -40.52 77.46 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.833 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -57.79 -44.65 86.43 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.909 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.45 -40.52 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.579 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 38' ' ' ILE . . . -51.96 -48.44 64.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 61.2 mt -59.07 -52.22 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.286 0.565 . . . . 0.0 110.665 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.58 -30.46 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.145 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 98.4 mttt -81.16 -38.52 27.0 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 7.3 m-85 -139.11 -56.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 43.2 t30 63.89 50.66 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.528 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' LYS . 46.4 mt -136.09 30.34 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 59.17 -70.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.007 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' ILE . 18.3 ttpp -58.74 -53.91 53.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.123 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -52.71 -40.79 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.479 HG23 HD11 ' A' ' 42' ' ' ILE . 62.6 mt -54.68 -50.44 59.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.27 70.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.929 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -63.44 -55.55 23.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.433 ' CD2' HG13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -69.76 -45.15 68.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.854 0.359 . . . . 0.0 111.826 -178.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 68.8 mt -63.21 -47.26 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.776 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -61.97 -52.69 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.313 -179.01 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -57.69 -34.85 69.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.598 -179.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 44.6 tt0 -63.78 -52.16 61.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.555 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.552 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 48.9 m-85 -65.87 -44.45 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 13.3 t70 -52.2 -44.84 64.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -79.46 -44.2 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.134 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -72.14 -65.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.6 m-85 -79.76 -11.18 59.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.253 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.15 145.08 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.787 0.435 . . . . 0.0 110.431 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.495 ' HB3' ' OD1' ' A' ' 47' ' ' ASP . 39.9 Cg_endo -66.39 168.26 16.66 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.498 2.132 . . . . 0.0 113.043 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.6 t -115.71 125.4 52.76 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 122.634 0.374 . . . . 0.0 110.671 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.585 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.1 m95 -97.82 131.42 44.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.256 0.551 . . . . 0.0 112.089 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.562 ' HD1' HG12 ' B' ' 66' ' ' VAL . 17.0 m-70 -111.07 137.53 48.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.312 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.1 t -141.32 150.16 42.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 112.274 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.422 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 51.5 mt -149.12 147.62 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.837 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -153.92 137.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.151 0.5 . . . . 0.0 111.614 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.9 -137.45 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.921 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -177.27 37.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.537 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 169.28 70.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.308 179.643 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CG ' ' HB3' ' B' ' 62' ' ' PHE . 20.8 p90 -168.28 133.96 1.85 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.19 141.64 30.4 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.405 ' OG ' ' CE2' ' A' ' 62' ' ' PHE . 59.6 m -136.2 143.78 44.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.668 0.734 . . . . 0.0 112.938 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 7.0 t80 -146.9 134.26 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.935 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.577 HG12 ' HD1' ' B' ' 55' ' ' HIS . 30.1 t -155.72 166.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.725 0.298 . . . . 0.0 111.565 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 99.7 m -130.05 140.58 50.83 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -153.52 154.2 33.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.962 0.411 . . . . 0.0 111.634 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 70' ' ' THR . 5.3 tp10 -57.29 -110.48 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 69' ' ' GLU . 60.1 p -163.46 159.24 21.95 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 112.056 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 6.9 mmpt? 66.55 39.76 3.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.449 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.478 ' HB2' ' HG2' ' A' ' 87' ' ' LYS . 3.5 p80 -175.56 51.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.052 0.453 . . . . 0.0 111.819 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.679 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.0 t80 -130.51 140.53 50.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.974 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.7 tt -163.2 131.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.391 0.615 . . . . 0.0 111.953 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -129.06 133.83 47.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.346 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.6 p90 -165.17 138.66 4.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.111 0.482 . . . . 0.0 112.261 -178.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 82' ' ' ALA . 4.4 m-85 -85.79 156.03 20.77 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.621 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 54.9 tp -154.7 132.85 11.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.51 -64.79 0.17 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.954 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 179.43 38.22 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.883 0.373 . . . . 0.0 110.122 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.6 m -156.91 131.81 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 77' ' ' TYR . . . -69.91 139.71 52.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -125.52 131.81 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.1 tp -126.12 140.32 52.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.4 tp -158.64 141.87 14.86 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.881 0.372 . . . . 0.0 111.312 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.679 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 4.7 p90 176.78 139.97 0.07 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 64.0 pttt -95.64 170.29 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.102 0.477 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.728 -179.705 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.695 0.283 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.49 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.6 m -93.26 136.02 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 111.586 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -77.4 133.95 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.049 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' B' ' 9' ' ' LYS . 3.5 mmmp? -119.68 -29.94 4.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.055 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -150.85 50.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.596 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.418 ' CB ' HG23 ' B' ' 8' ' ' ILE . . . -60.6 143.93 52.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -170.97 53.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.406 ' O ' ' NE2' ' B' ' 18' ' ' GLN . 55.3 ttp -169.25 162.91 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.694 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -40.59 138.01 1.04 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 111.621 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -53.99 -43.66 70.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.671 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -62.41 -40.65 97.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.13 -50.86 64.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.016 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' B' ' 13' ' ' MET . 19.9 pt20 -66.47 -38.29 87.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.621 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -68.93 -38.86 79.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.595 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.01 -39.27 94.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -68.58 -41.11 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.888 0.375 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' B' ' 76' ' ' PHE . 48.0 t -64.63 -45.98 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.401 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -46.83 71.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.231 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 88.1 m -67.34 -28.73 68.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.16 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.485 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -72.46 -41.08 66.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.081 0.467 . . . . 0.0 109.988 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 86.7 m -61.88 -46.42 89.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.461 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 85.4 mt-30 -60.7 -40.61 92.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.076 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.509 ' HB3' HG12 ' B' ' 38' ' ' ILE . . . -55.87 -44.35 78.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.212 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.36 -41.58 96.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -65.59 -36.93 85.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.628 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 61.0 pttt -89.76 -36.36 15.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.464 ' CE2' ' HE3' ' B' ' 31' ' ' LYS . 44.7 m-85 -111.1 -45.25 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.57 45.36 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.298 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.517 ' O ' HG13 ' B' ' 38' ' ' ILE . 58.2 mt -148.77 123.72 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -46.74 -44.68 19.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.009 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.9 ttpm? -61.66 -57.33 12.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.936 0.398 . . . . 0.0 111.566 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.21 -43.59 64.31 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.239 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 34' ' ' ILE . 82.4 mt -47.32 -58.23 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.091 0.472 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.86 -23.74 66.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.074 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -63.93 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.848 0.356 . . . . 0.0 111.883 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.459 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.7 OUTLIER -68.52 -45.72 71.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 -179.078 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 69.1 mt -56.75 -46.11 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.569 ' HA ' ' NZ ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -63.81 -49.65 72.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.86 -179.622 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.15 -45.09 83.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.637 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 97.3 mt-10 -59.04 -47.2 86.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' B' ' 42' ' ' ILE . 4.7 m-85 -65.17 -45.41 84.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.687 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.463 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.1 m-20 -60.0 -33.53 72.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 4.5 tmtt? -80.48 -42.7 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 97.4 mttt -78.53 -60.53 2.34 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.12 -17.99 38.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 93.28 144.03 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.42 0 C-N-CA 122.696 0.398 . . . . 0.0 110.065 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' B' ' 47' ' ' ASP . 34.1 Cg_exo -61.36 170.53 5.17 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.306 2.004 . . . . 0.0 112.626 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.552 HG22 ' CB ' ' B' ' 88' ' ' SER . 9.7 t -118.16 116.13 26.21 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 111.051 0.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.69 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -91.57 147.31 23.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.959 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.577 ' HD1' HG12 ' A' ' 66' ' ' VAL . 20.5 m-70 -125.2 137.03 54.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.2 t -143.0 147.07 34.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.25 0.548 . . . . 0.0 112.074 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.473 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 35.0 mm -143.75 144.77 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 61.1 t -150.68 132.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.101 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.88 -136.87 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.65 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 86.1 mtm180 -158.74 30.04 0.22 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.544 0.212 . . . . 0.0 111.546 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.544 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 164.87 83.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.567 ' HB3' ' CG ' ' A' ' 62' ' ' PHE . 3.5 p90 -155.63 133.28 11.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -96.99 147.72 18.77 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 81.5 p -159.04 150.43 20.4 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.15 0.975 . . . . 0.0 113.226 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.0 t80 -139.61 132.18 28.76 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.586 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.562 HG12 ' HD1' ' A' ' 55' ' ' HIS . 35.4 t -155.69 165.94 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.43 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 87.6 m -118.51 149.39 41.38 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 28.1 p80 -164.58 145.86 8.1 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.972 0.415 . . . . 0.0 111.956 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.402 ' HG3' ' ND1' ' B' ' 72' ' ' HIS . 16.1 pt-20 -62.12 150.58 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.775 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.5 p -56.27 150.7 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.527 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.5 mmpt? 66.97 36.53 4.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.435 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.9 m80 -157.4 69.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.659 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 27.8 t80 -165.55 134.8 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.445 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.45 HD12 ' CD2' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -157.35 141.4 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.128 0.489 . . . . 0.0 111.63 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' B' ' 76' ' ' PHE . 4.1 t80 -147.72 146.64 29.32 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.863 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 3.6 p90 -167.02 146.04 5.21 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.109 0.48 . . . . 0.0 111.897 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -92.47 141.56 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.956 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 6' ' ' ALA . 57.0 tp -168.44 145.68 3.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 111.688 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.14 39.41 70.3 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.487 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' B' ' 80' ' ' GLN . 0.4 OUTLIER 55.29 38.18 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.811 0.339 . . . . 0.0 110.758 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.41 HG11 ' CG ' ' B' ' 60' ' ' ARG . 35.5 m -156.93 132.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -73.2 141.57 47.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.235 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.0 mt -132.52 142.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.604 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.03 145.63 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' B' ' 55' ' ' HIS . 5.4 tt -159.48 141.08 13.09 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.394 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.497 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.9 p90 -178.61 131.67 0.13 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.69 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 17.8 ptpt -81.99 156.9 24.44 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.552 ' CB ' HG22 ' B' ' 53' ' ' THR . 26.2 t -71.43 -152.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.72 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.422 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.825 0.345 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -82.39 129.91 34.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.495 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -83.47 123.2 29.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.381 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.404 HG21 ' HB ' ' A' ' 66' ' ' VAL . 8.9 t -86.27 132.4 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.294 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.46 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -119.52 126.36 6.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 46.8 pt -161.54 170.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.021 0.438 . . . . 0.0 111.276 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -158.79 119.35 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.526 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 22.2 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 11.0 p-10 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.503 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 11.1 t -79.81 142.33 35.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.32 132.37 5.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.686 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 50.6 pt -153.38 168.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.972 0.415 . . . . 0.0 111.135 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.466 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 3.0 pt20 -162.66 69.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.883 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.3 138.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.417 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 29.5 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.534 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.464 0.258 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 21.7 m -100.67 138.54 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.066 0.46 . . . . 0.0 111.719 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -99.31 147.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.497 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -141.22 -47.5 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.51 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.1 m120 -103.21 48.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 111.233 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 128.6 36.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.82 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.01 58.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.452 ' HG2' ' HB2' ' A' ' 17' ' ' MET . 54.3 ttp -178.24 158.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 m -38.39 140.43 0.31 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.876 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 50.5 mt-10 -51.86 -48.6 63.95 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.84 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.55 -42.74 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.945 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.452 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 65.4 mtt -60.88 -49.64 76.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 14.5 pt20 -62.81 -40.93 98.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.855 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.33 -40.05 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.079 0.466 . . . . 0.0 110.186 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.515 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 38.2 t70 -64.0 -38.6 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.739 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.1 m -64.43 -46.35 83.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.135 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -59.63 -47.5 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.077 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.515 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -68.06 -44.66 75.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.97 0.415 . . . . 0.0 110.177 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.8 -33.4 75.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -39.92 74.54 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.383 0.611 . . . . 0.0 109.742 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.5 m -59.74 -47.12 86.93 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.611 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.544 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 41.5 tt0 -57.94 -49.17 77.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.895 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . . . -49.74 -41.19 43.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.797 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ASN . 56.6 mt -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.598 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.96 -25.32 67.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.066 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 4.7 mptp? -78.32 -32.06 49.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.958 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 51.8 m-85 -144.72 -39.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 73.4 m-80 73.35 48.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.455 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 38' ' ' ILE . 49.4 mm -143.06 129.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.63 -41.49 42.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.494 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -62.9 -56.12 20.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.003 0.43 . . . . 0.0 111.22 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -53.82 -43.62 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.17 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.576 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 78.1 mt -47.29 -44.75 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 111.044 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' B' ' 65' ' ' TYR . . . -60.97 -38.18 85.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.069 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.36 82.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.661 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CD2' ' CB ' ' A' ' 28' ' ' ALA . 73.5 m-70 -60.29 -57.18 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.999 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.99 -35.9 70.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.221 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 11.3 tmtt? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 45' ' ' GLU . 65.0 pttt -63.28 -46.99 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.7 tp10 -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 111.419 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.428 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 4.9 m-85 -78.37 -42.59 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -60.26 -34.22 73.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.024 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.72 -41.03 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.983 0.421 . . . . 0.0 111.172 -179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -80.7 -58.11 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.52 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 6.9 m-85 -88.36 -14.12 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 65.7 m-20 94.86 143.69 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 C-N-CA 122.859 0.464 . . . . 0.0 110.544 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 43.7 Cg_endo -67.64 169.22 16.37 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.639 2.226 . . . . 0.0 113.046 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.427 HG23 ' CE1' ' A' ' 55' ' ' HIS . 13.0 t -116.77 123.0 46.08 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.715 0.406 . . . . 0.0 110.972 0.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.651 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.7 m95 -92.8 127.79 38.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 111.723 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 32.6 m-70 -93.9 131.69 39.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.517 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.3 m -122.83 141.19 52.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.216 0.531 . . . . 0.0 112.073 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' B' ' 64' ' ' SER . 39.6 mm -147.18 137.51 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.501 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 45.9 t -152.59 135.43 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.838 0.351 . . . . 0.0 111.232 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.33 -131.54 1.83 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.252 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 24.1 ptt-85 -175.53 38.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER 167.68 80.7 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 14.3 p90 -162.06 135.84 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.549 0.69 . . . . 0.0 112.416 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -110.07 139.83 15.57 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.448 ' HB2' HG12 ' B' ' 57' ' ' ILE . 71.0 p -158.07 151.32 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.215 1.008 . . . . 0.0 113.603 -178.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.487 ' CD2' ' HD3' ' B' ' 43' ' ' LYS . 35.4 t80 -126.56 131.45 51.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.057 178.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 21.9 t -153.57 168.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 77.7 m -119.35 144.88 46.62 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -159.21 150.67 20.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.268 0.556 . . . . 0.0 112.198 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.5 152.91 10.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.28 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -57.19 142.69 41.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.148 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 12.1 mptt 57.62 25.3 11.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.956 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.446 ' ND1' ' HG3' ' A' ' 87' ' ' LYS . 45.1 m170 -123.8 54.98 1.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.748 0.309 . . . . 0.0 110.836 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 74' ' ' ILE . 7.8 t80 -166.38 148.38 6.7 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 8.5 tt -166.24 130.43 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-O 121.12 0.486 . . . . 0.0 111.93 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 48.2 t80 -113.12 140.98 47.44 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.444 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.5 p90 -168.73 138.15 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 111.777 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -79.51 145.84 33.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.742 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 37.2 tp -170.34 139.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.587 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.63 43.21 86.12 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.621 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.61 34.67 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.704 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.6 m -158.5 131.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.549 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' CB ' ' OH ' ' A' ' 75' ' ' TYR . . . -69.94 123.32 21.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.563 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 53.7 mt -100.51 149.16 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.582 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.463 ' HB3' ' HB ' ' A' ' 57' ' ' ILE . 63.4 tp -142.99 140.79 31.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.9 tp -150.35 138.94 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.447 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.463 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.1 p90 -173.14 120.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -86.06 170.18 12.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.224 0.535 . . . . 0.0 111.6 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.741 179.619 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.7 m -97.47 138.29 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 111.899 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -81.94 145.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.518 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -129.64 -39.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -133.91 53.23 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.37 . . . . 0.0 111.227 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.402 ' CB ' HG21 ' B' ' 8' ' ' ILE . . . -57.27 137.49 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.0 t70 -175.41 53.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.37 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.413 ' CE ' ' HA ' ' B' ' 72' ' ' HIS . 51.2 ttm -168.69 151.97 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.369 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -40.97 139.89 0.82 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 111.896 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.438 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 16.7 pt-20 -51.21 -43.37 61.4 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.77 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.11 -42.59 98.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.109 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtt -64.93 -50.77 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.988 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 18.3 pt20 -64.37 -37.64 88.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.514 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -69.39 -41.96 75.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.547 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -68.04 -36.6 80.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.485 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 t -64.68 -44.0 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.56 -46.37 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.19 -45.1 86.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.51 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.75 -35.12 78.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.068 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.4 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.31 -37.64 77.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.222 0.535 . . . . 0.0 109.91 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -61.75 -46.02 91.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.627 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -58.86 -46.86 86.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.31 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' B' ' 38' ' ' ILE . . . -54.78 -41.43 70.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.443 ' CD2' HD13 ' B' ' 38' ' ' ILE . 36.1 mt -61.85 -48.27 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.386 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -66.42 -32.54 73.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.048 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.539 ' HG3' ' CD2' ' B' ' 32' ' ' TYR . 0.1 OUTLIER -87.46 -29.27 21.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.717 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.598 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 43.7 m-85 -133.08 -49.16 0.86 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.45 -0.5 . . . . 0.0 112.293 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' B' ' 32' ' ' TYR . 49.5 t30 69.45 49.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.525 ' O ' HG13 ' B' ' 38' ' ' ILE . 48.0 mm -136.13 134.47 50.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.36 -55.35 29.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' B' ' 36' ' ' LYS . 3.3 tmmm? -69.86 -48.87 57.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.508 ' HB2' ' HB ' ' B' ' 34' ' ' ILE . 1.3 m-20 -57.4 -47.42 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 111.633 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 34' ' ' ILE . 96.9 mt -55.55 -45.96 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.407 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.98 73.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.445 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -65.7 -48.16 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.086 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.598 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 13.9 m-70 -61.82 -51.54 67.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.447 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 60.8 mt -56.27 -45.4 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.542 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.487 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 86.9 tttt -58.18 -52.7 64.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.954 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -55.99 -44.22 78.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.1 -47.85 80.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.621 0.248 . . . . 0.0 111.158 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.453 ' CE2' ' CD2' ' B' ' 85' ' ' LEU . 30.7 m-85 -65.19 -43.49 91.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.689 0.281 . . . . 0.0 111.587 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.557 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.3 m-20 -56.02 -36.95 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 110.717 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 3.3 tmtp? -72.55 -40.11 66.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.167 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -81.96 -62.79 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 15.6 m-85 -90.13 -17.25 28.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' B' ' 47' ' ' ASP . 57.9 m-20 91.64 142.47 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.37 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.411 ' HB3' ' HA ' ' B' ' 53' ' ' THR . 51.0 Cg_exo -52.95 170.77 0.27 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 112.839 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.436 HG21 ' CE1' ' B' ' 55' ' ' HIS . 11.1 t -119.18 110.75 17.4 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 122.782 0.433 . . . . 0.0 111.328 0.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.719 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 23.0 m95 -86.95 117.99 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.232 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.443 ' HD1' HG13 ' A' ' 66' ' ' VAL . 34.5 m-70 -91.12 134.27 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 37.6 t -131.3 149.9 52.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 112.364 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.516 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 51.8 mt -148.41 149.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.106 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 45.6 t -156.35 138.76 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.025 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.48 -135.2 2.56 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.948 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.6 ptt180 -176.5 32.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.572 ' HA ' ' HA ' ' D' ' 9' ' ' ASP . 39.1 t30 167.14 82.56 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 110.368 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.516 ' CZ ' HG21 ' B' ' 57' ' ' ILE . 6.1 p90 -172.55 134.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.731 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.17 136.64 17.18 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.467 ' HA ' HD11 ' A' ' 57' ' ' ILE . 87.4 p -125.21 150.61 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.427 0.613 . . . . 0.0 112.259 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.428 ' CE1' ' OD1' ' D' ' 3' ' ' ASP . 24.8 t80 -154.31 123.04 6.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.092 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 59.6 t -158.87 163.68 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 111.611 -178.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 95.2 m -112.27 156.51 22.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 22.6 p80 -170.31 143.91 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 111.897 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.49 153.58 31.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -57.72 153.11 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.648 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.55 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.51 38.84 7.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.756 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 82.7 m-70 -163.35 70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.469 ' HB2' ' CE1' ' B' ' 68' ' ' HIS . 2.1 t80 -164.0 126.87 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.312 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 9.9 tt -153.76 134.53 4.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 0.0 112.018 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -138.97 138.12 37.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.284 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.454 ' N ' ' CD1' ' B' ' 76' ' ' PHE . 1.1 p90 -166.77 138.2 3.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.456 ' CE1' ' HB3' ' B' ' 82' ' ' ALA . 40.5 m-85 -78.17 149.59 33.71 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.829 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.467 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 47.7 tp -170.19 140.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.23 39.52 64.65 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.297 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 57.56 38.74 28.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.743 0.306 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' B' ' 78' ' ' LEU . 27.0 m -157.81 136.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.987 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.456 ' HB3' ' CE1' ' B' ' 77' ' ' TYR . . . -69.89 140.62 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.43 HD11 HG21 ' B' ' 83' ' ' ILE . 61.4 mt -127.91 133.8 66.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.7 tp -134.85 145.29 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 111.209 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.453 ' CD2' ' CE2' ' B' ' 46' ' ' PHE . 51.6 tp -159.89 142.97 13.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 11.0 p90 -177.77 128.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.719 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -84.64 158.22 20.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 111.366 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.6 t -136.72 135.41 38.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 0.8 OUTLIER -101.87 134.56 44.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.527 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.1 p30 -82.01 120.87 25.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.555 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' VAL . 12.6 t -82.26 146.37 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.413 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -153.31 125.2 1.72 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.336 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.441 ' O ' ' CD1' ' C' ' 6' ' ' ILE . 2.6 pp -160.43 136.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.103 0.478 . . . . 0.0 111.394 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -109.16 73.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.183 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.363 . . . . 0.0 111.008 -179.847 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 8.3 t0 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 121.052 0.453 . . . . 0.0 111.813 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.493 ' N ' ' O ' ' B' ' 66' ' ' VAL . 52.1 m -75.59 140.98 42.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.137 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.436 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -159.84 128.37 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.183 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.6 pp -161.46 146.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 111.768 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -103.61 87.69 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.318 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' B' ' 62' ' ' PHE . 80.3 t -69.37 140.84 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 0.0 111.244 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.572 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.085 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.736 0.303 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -101.28 138.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.998 0.428 . . . . 0.0 111.896 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -77.67 144.78 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.055 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 31.5 mmmt -128.13 -38.17 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.397 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -146.55 53.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 111.028 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.42 142.0 34.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.472 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -170.65 56.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.423 ' HG2' ' N ' ' A' ' 14' ' ' SER . 50.0 ttm -165.95 161.94 17.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.405 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 13' ' ' MET . 54.1 m -49.63 136.26 17.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -50.51 -44.27 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.503 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -59.85 -46.38 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtt -58.83 -44.92 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 13' ' ' MET . 62.5 mt-30 -55.34 -43.49 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.25 -43.59 98.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.44 -38.68 87.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.581 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -68.75 -45.7 70.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.315 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.421 HG21 ' CE2' ' A' ' 76' ' ' PHE . 47.1 t -67.33 -41.03 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.08 -43.26 78.95 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.387 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.28 -38.93 92.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.578 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.98 80.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.7 m -60.45 -45.4 93.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.397 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -59.8 -46.65 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.399 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -56.72 -37.08 70.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.02 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 33' ' ' ASN . 63.6 mt -66.18 -49.54 67.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.453 . . . . 0.0 111.396 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -72.22 -32.54 66.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.05 -16.92 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.097 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE2' ' NE2' ' A' ' 41' ' ' HIS . 46.7 m-85 -144.81 -36.66 0.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 23.0 p30 54.59 50.57 15.69 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.492 ' O ' HG13 ' A' ' 38' ' ' ILE . 66.6 mt -146.46 127.37 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.62 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.92 -47.53 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.788 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -58.32 -55.19 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.381 . . . . 0.0 111.319 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 55.4 m-20 -54.66 -44.85 73.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.536 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 34' ' ' ILE . 98.7 mt -51.64 -42.51 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.978 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.43 -42.3 79.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.693 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.19 89.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 64.2 m-70 -68.14 -54.31 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.893 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.44 HG23 ' CE2' ' A' ' 46' ' ' PHE . 65.2 mt -58.59 -42.1 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.6 -52.93 63.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.184 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 41' ' ' HIS . 64.9 pttt -62.21 -44.3 96.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 5.2 mm-40 -55.58 -48.08 75.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.313 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.554 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 28.1 m-85 -71.94 -44.64 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 37.5 m-20 -55.77 -34.64 65.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -83.34 -40.14 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -80.17 -60.36 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.517 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.7 m-85 -85.79 -18.82 31.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 93.99 144.74 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 C-N-CA 122.848 0.459 . . . . 0.0 110.138 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 38.5 Cg_exo -61.02 169.33 6.12 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.469 2.113 . . . . 0.0 112.91 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -116.99 121.49 41.52 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 0.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.616 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 25.3 m95 -94.53 127.86 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.054 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 21.6 m-70 -101.35 136.41 41.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -135.81 148.11 48.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.392 0.615 . . . . 0.0 112.375 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.419 HG21 ' CE1' ' A' ' 62' ' ' PHE . 51.9 mt -148.39 135.15 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.848 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 50.6 t -145.11 133.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.997 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.89 -132.03 1.82 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.217 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.4 ptt180 -179.03 40.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 163.13 82.39 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.231 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.508 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 10.7 p90 -171.87 137.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.357 0.598 . . . . 0.0 112.464 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.64 150.46 19.66 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.416 ' HB2' HG12 ' B' ' 57' ' ' ILE . 70.2 p -166.39 154.89 10.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CE2' ' CB ' ' B' ' 40' ' ' ALA . 23.4 m-85 -138.11 137.5 37.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.097 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 14.2 t -155.11 159.83 2.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.88 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.443 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.3 m -116.93 147.74 41.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -165.28 154.43 12.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.21 0.528 . . . . 0.0 112.076 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -59.09 140.02 56.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.104 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.5 p -58.96 150.94 23.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.6 37.41 7.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.637 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CD2' ' HD2' ' A' ' 87' ' ' LYS . 66.4 m80 -155.66 56.34 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.629 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.474 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.8 t80 -160.06 144.81 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.912 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.419 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 11.1 tt -160.01 129.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.361 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 37.8 t80 -125.83 133.7 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.547 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.1 p90 -165.94 137.35 3.78 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.436 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 64.4 m-85 -73.88 154.69 39.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.277 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.6 tp -161.87 132.65 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 111.91 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.41 -65.39 0.26 Allowed Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.067 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.431 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 19.0 pt20 179.47 35.67 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.91 0.386 . . . . 0.0 110.102 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 27.8 m -160.85 135.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.752 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 58' ' ' VAL . . . -69.96 126.83 30.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 83' ' ' ILE . 59.0 mt -106.5 136.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.428 HD13 ' CZ ' ' A' ' 73' ' ' PHE . 60.5 tp -128.13 141.38 51.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 46' ' ' PHE . 50.0 tp -156.87 138.58 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.451 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.474 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.6 p90 -178.23 126.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.641 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.616 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -96.45 170.14 9.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.18 0.514 . . . . 0.0 111.807 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.47 ' N ' ' HD3' ' A' ' 87' ' ' LYS . 39.8 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.702 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.959 0.409 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.0 m -107.62 136.83 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.627 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -89.66 145.98 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.075 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -135.47 -43.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.976 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' B' ' 75' ' ' TYR . 22.8 t-20 -114.88 51.76 0.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.021 0.439 . . . . 0.0 110.271 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.06 137.01 47.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.226 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -177.68 52.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.46 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.497 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 52.2 ttm -167.48 148.16 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.081 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -42.46 145.52 0.41 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.923 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -55.28 -44.93 76.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.707 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -65.8 -45.27 83.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.497 ' HB2' ' HG2' ' B' ' 13' ' ' MET . 86.5 mtp -62.4 -49.42 75.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.418 ' HB2' ' CD1' ' B' ' 74' ' ' ILE . 3.3 pt20 -64.93 -38.29 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.619 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -68.31 -39.98 81.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -67.2 -37.49 83.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.655 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.78 -42.43 86.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.033 0.444 . . . . 0.0 110.036 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.421 HG22 ' CE2' ' B' ' 76' ' ' PHE . 51.9 t -63.33 -49.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.471 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.43 -42.72 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.83 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -61.73 -34.31 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.648 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.02 -38.83 79.43 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.8 m -59.5 -45.69 90.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.19 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.91 -39.14 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.836 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.403 ' HB2' HG12 ' B' ' 38' ' ' ILE . . . -55.88 -45.95 78.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.234 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.0 -43.89 94.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.001 0.429 . . . . 0.0 111.03 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.54 -33.62 76.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -86.61 -40.8 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.916 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.489 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -112.95 -45.49 3.18 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 66.35 44.91 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.964 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.554 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.6 mt -154.12 124.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -45.12 -44.76 10.82 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -59.45 -58.21 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.489 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 58.9 m-20 -54.6 -42.51 71.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.238 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 34' ' ' ILE . 75.9 mt -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 111.061 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' B' ' 43' ' ' LYS . . . -66.61 -23.14 66.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.986 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.465 ' CB ' ' CE2' ' A' ' 65' ' ' TYR . . . -67.67 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.454 ' HA ' ' HE3' ' B' ' 44' ' ' LYS . 0.0 OUTLIER -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.486 -178.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.526 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 72.9 mt -60.37 -44.01 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.476 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.495 ' HD3' ' C ' ' B' ' 43' ' ' LYS . 13.2 tmtt? -61.71 -49.81 74.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 20.2 pttp -64.99 -41.37 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.411 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.11 -56.68 17.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.579 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 42.3 m-85 -62.93 -43.94 97.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.436 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.6 t0 -54.52 -43.44 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.79 -45.25 37.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.985 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.23 -69.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.0 m-30 -72.41 -11.74 60.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.967 -178.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 90.93 143.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 O-C-N 123.505 0.503 . . . . 0.0 110.456 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.41 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 23.5 Cg_endo -61.64 168.91 7.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.32 2.013 . . . . 0.0 112.29 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 9.5 t -113.64 130.05 56.46 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.892 0.477 . . . . 0.0 110.464 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.579 ' CE2' ' HB3' ' B' ' 46' ' ' PHE . 24.7 m95 -103.31 133.74 47.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.448 ' ND1' HG11 ' A' ' 66' ' ' VAL . 23.4 m-70 -111.85 136.32 51.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.045 -0.98 . . . . 0.0 108.598 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.3 t -141.78 149.51 40.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.248 0.547 . . . . 0.0 112.295 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.514 HG21 ' CE2' ' B' ' 62' ' ' PHE . 39.5 mt -148.65 142.35 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.066 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.06 134.67 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.59 -130.08 1.55 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.249 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 23.2 ptt-85 -174.14 35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.705 0.288 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 168.74 80.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.714 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.514 ' CE2' HG21 ' B' ' 57' ' ' ILE . 4.9 p90 -155.89 130.16 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.23 139.5 14.48 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.401 ' HB2' HG12 ' A' ' 57' ' ' ILE . 76.2 p -163.44 163.05 25.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.711 1.255 . . . . 0.0 114.297 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' D' ' 4' ' ' THR . 17.8 m-85 -135.5 143.96 46.09 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.862 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.615 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 24.4 t -159.15 161.28 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 81.4 m -109.79 139.22 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.439 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 31.1 p80 -157.68 136.51 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 111.662 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.4 ' HG3' ' CG ' ' B' ' 72' ' ' HIS . 16.5 pt-20 -57.58 148.87 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.8 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -57.37 148.65 22.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.7 35.92 8.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.551 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.4 ' CG ' ' HG3' ' B' ' 69' ' ' GLU . 58.7 m80 -153.83 69.42 0.79 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.732 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.599 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.8 t80 -176.42 143.44 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.436 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 7.8 tt -155.01 131.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.282 0.563 . . . . 0.0 112.096 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.535 ' HB3' ' HB3' ' B' ' 10' ' ' ASN . 5.3 t80 -130.82 134.72 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 2.7 p90 -169.98 135.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.128 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -72.81 149.27 43.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.472 ' HB2' ' HB1' ' B' ' 6' ' ' ALA . 3.5 tt -170.09 138.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.51 40.38 77.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.315 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.401 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 14.1 mp0 57.83 36.19 26.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.682 0.277 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 26.8 m -158.39 135.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.85 136.39 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.192 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 56.0 mt -119.42 141.26 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 65.7 tp -140.04 139.92 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 58.3 tp -158.87 140.24 13.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.706 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.599 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.3 p90 -177.55 133.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' B' ' 53' ' ' THR . 63.5 pttt -99.57 142.58 30.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 111.609 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.7 t -111.7 132.07 54.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.471 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -154.24 129.9 10.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -81.08 117.46 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.838 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.447 ' OG1' ' CE2' ' A' ' 73' ' ' PHE . 15.3 t -74.97 141.16 44.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.105 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.94 134.19 6.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.4 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -155.87 170.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.12 0.486 . . . . 0.0 111.718 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 38.9 tt0 -157.84 69.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.31 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 52.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 -179.388 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.615 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.795 0.331 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.452 ' N ' ' O ' ' B' ' 66' ' ' VAL . 14.1 t -70.01 148.92 48.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.984 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.54 129.42 2.76 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.32 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.436 ' CD1' ' O ' ' D' ' 6' ' ' ILE . 2.5 pp -159.5 134.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 111.792 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 14.4 pt20 -110.0 73.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.412 ' CG2' ' OH ' ' B' ' 75' ' ' TYR . 38.7 t -69.11 131.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.512 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.6 m-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.412 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 111.849 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.8 m -95.84 138.49 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.324 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 tp -85.64 141.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 3.8 mmmp? -120.41 -52.17 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.392 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ALA . 6.1 m120 -92.45 -60.63 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.605 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' ASN . . . 60.35 131.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 36.5 t70 -177.54 56.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 0.0 111.435 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.422 ' HB2' ' CE ' ' A' ' 17' ' ' MET . 16.4 ptp -171.54 -177.05 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 m -58.28 140.01 54.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 53.0 mm-40 -52.86 -46.42 67.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.496 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.6 pt-20 -69.53 -37.16 77.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.422 ' CE ' ' HB2' ' A' ' 13' ' ' MET . 38.6 ttp -68.33 -42.33 79.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.923 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.5 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 14.7 pt20 -65.21 -41.94 93.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.21 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 3.1 pt20 -63.0 -37.98 89.36 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.07 -36.71 80.36 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.916 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.1 t -63.77 -43.48 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.446 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 59.3 t -63.45 -46.55 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.419 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.68 -45.83 84.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.149 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.29 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.88 -36.78 78.49 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 109.812 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -60.91 -48.11 83.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.735 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -59.12 -47.43 85.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 41' ' ' HIS . . . -54.34 -36.55 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 54.6 mt -63.56 -47.72 80.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.641 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.37 -26.25 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.093 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 26.9 mmmt -90.2 -51.19 5.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.453 0.644 . . . . 0.0 109.979 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.578 ' C ' ' H ' ' A' ' 34' ' ' ILE . 8.5 m-85 -137.15 94.61 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.612 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -70.28 24.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 111.131 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.578 ' H ' ' C ' ' A' ' 32' ' ' TYR . 1.7 mp -98.7 136.2 30.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.539 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.6 mt-10 -48.43 -49.22 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.824 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.503 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 6.3 ttpm? -60.49 -57.35 13.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.337 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' CB ' ' CB ' ' A' ' 32' ' ' TYR . 59.8 m-20 -52.07 -42.35 63.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 34' ' ' ILE . 86.5 mt -48.0 -43.96 11.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.437 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.33 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.012 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -65.27 -45.89 82.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 27.6 m-70 -63.75 -62.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 46' ' ' PHE . 64.7 mt -55.12 -42.75 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.312 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 13.3 tmtt? -61.98 -52.35 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -68.78 -45.41 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -53.93 -48.94 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.503 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 20.9 m-85 -65.99 -44.47 84.76 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.67 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 30.0 m-20 -55.97 -33.97 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.643 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.82 -42.82 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.357 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -76.28 -69.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.552 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 49.8 m-85 -80.75 -14.8 57.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.527 -0.761 . . . . 0.0 113.015 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.552 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 4.8 m120 90.08 145.49 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 122.528 0.331 . . . . 0.0 110.115 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -55.83 168.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.113 1.875 . . . . 0.0 112.562 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.3 t -113.16 130.87 56.07 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.853 0.461 . . . . 0.0 111.23 0.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.519 ' NE1' ' HD3' ' A' ' 87' ' ' LYS . 27.4 m95 -112.28 135.83 52.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.021 0.439 . . . . 0.0 111.469 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.56 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . 14.7 m-70 -111.97 150.26 30.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -150.76 150.95 31.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.844 0.831 . . . . 0.0 113.183 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.437 HG22 ' CE2' ' A' ' 62' ' ' PHE . 57.1 mt -151.71 136.06 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.196 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.26 136.35 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.373 . . . . 0.0 111.374 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.421 ' HA2' ' OE1' ' A' ' 35' ' ' GLU . . . 179.56 -131.75 1.72 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.56 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 37.4 ptt85 -179.84 44.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.647 0.26 . . . . 0.0 111.477 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 162.9 82.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.033 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.483 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 2.2 p90 -166.61 130.47 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.544 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.73 136.9 12.94 Favored Glycine 0 CA--C 1.511 -0.195 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' B' ' 57' ' ' ILE . 19.9 m -164.54 161.63 21.28 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' B' ' 39' ' ' ALA . 12.9 m-85 -123.14 148.71 45.42 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.84 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 43.5 t -157.1 162.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 60.9 m -125.41 140.29 52.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 73' ' ' PHE . 33.3 p80 -159.12 147.76 18.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HG3' ' ND1' ' A' ' 72' ' ' HIS . 24.3 pt-20 -68.77 147.58 51.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.975 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.0 p -54.06 144.6 18.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.803 0.335 . . . . 0.0 111.375 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.623 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 67.79 34.15 4.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.306 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.451 ' ND1' ' HG3' ' A' ' 69' ' ' GLU . 58.4 m80 -155.02 52.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.51 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 43.8 t80 -166.52 144.7 5.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.221 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.505 ' CG2' ' HB3' ' A' ' 85' ' ' LEU . 9.2 tt -167.15 139.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.305 0.574 . . . . 0.0 112.184 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 82' ' ' ALA . 44.2 t80 -132.25 138.12 47.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.463 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 22' ' ' VAL . 7.5 p90 -167.69 141.55 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.447 ' CD1' ' CB ' ' A' ' 82' ' ' ALA . 65.0 m-85 -81.4 151.32 27.98 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 28.9 tp -162.98 134.89 5.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.45 -67.88 0.25 Allowed Glycine 0 C--N 1.334 0.451 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.31 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 39.1 tt0 -177.81 34.11 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.056 0.455 . . . . 0.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 31.2 m -163.24 140.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' A' ' 77' ' ' TYR . . . -82.43 125.32 30.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.372 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' A' ' 83' ' ' ILE . 2.0 mp -105.33 134.05 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.688 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.4 tp -119.93 122.2 40.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.479 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 74' ' ' ILE . 58.8 tp -109.08 141.65 40.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 111.232 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.56 ' HB2' ' HB2' ' A' ' 55' ' ' HIS . 20.4 m-85 -133.83 154.8 50.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.544 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.519 ' HD3' ' NE1' ' A' ' 54' ' ' TRP . 18.0 tptm -152.61 121.36 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.1 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.428 ' N ' ' HD2' ' A' ' 87' ' ' LYS . 50.7 m . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.006 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' B' ' 77' ' ' TYR . 27.2 m -84.45 139.69 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.009 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.457 HG12 ' HB3' ' B' ' 76' ' ' PHE . 18.5 mt -113.88 143.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -137.37 9.66 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.839 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.432 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 75.4 m-20 -162.17 42.34 0.13 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.86 134.58 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.726 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -175.52 69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.714 0.292 . . . . 0.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.883 ' O ' ' HB2' ' B' ' 17' ' ' MET . 23.6 ptm -176.37 54.92 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.738 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 33.5 t 62.75 135.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 110.986 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.424 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 16.4 pt-20 -54.0 -46.1 71.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.088 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.97 -44.97 87.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.428 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.883 ' HB2' ' O ' ' B' ' 13' ' ' MET . 66.4 mtt -63.25 -50.99 68.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 14' ' ' SER . 18.3 pt20 -61.89 -40.58 95.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.852 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -68.98 -37.75 78.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.825 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.87 -36.89 85.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.696 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -67.36 -44.33 79.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.968 0.413 . . . . 0.0 110.073 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.473 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 47.8 t -64.49 -45.96 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.365 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.32 -43.76 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.145 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.57 -35.91 82.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.963 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.62 83.57 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.275 0.559 . . . . 0.0 109.99 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 95.5 m -63.34 -45.66 90.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.43 -44.49 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.432 ' CB ' ' HA ' ' B' ' 38' ' ' ILE . . . -58.2 -43.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.713 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' B' ' 33' ' ' ASN . 43.8 mt -56.91 -43.31 81.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.922 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.16 -31.29 71.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.421 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 68.1 mttm -78.01 -37.59 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.482 ' O ' ' HB3' ' B' ' 33' ' ' ASN . 66.7 m-85 -130.3 -49.19 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.652 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' B' ' 32' ' ' TYR . 50.1 t30 79.03 43.62 0.07 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.375 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' B' ' 32' ' ' TYR . 3.0 mp -140.21 132.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' B' ' 36' ' ' LYS . 13.5 pm0 -46.3 -38.29 8.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.412 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.407 ' N ' ' HG2' ' B' ' 35' ' ' GLU . 18.1 ttpp -63.99 -54.31 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.457 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 59.9 m-20 -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.699 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.432 ' HA ' ' CB ' ' B' ' 28' ' ' ALA . 71.1 mt -48.43 -40.5 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 110.649 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . 0.413 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -67.57 -36.72 81.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.21 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.31 -53.81 53.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.728 0.299 . . . . 0.0 111.303 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.421 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 78.5 m-70 -60.49 -57.41 12.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.986 0.422 . . . . 0.0 111.532 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.446 HG23 ' CE2' ' B' ' 46' ' ' PHE . 63.9 mt -56.14 -41.01 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.068 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.489 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 6.6 ttpm? -59.36 -56.49 21.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.28 -45.69 90.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -53.61 -46.48 70.42 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.53 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.522 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 39.0 m-85 -80.35 -44.36 19.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -60.05 -36.66 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.374 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -81.49 -40.31 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -79.29 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.712 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.7 m-85 -84.28 -16.21 43.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 60.7 m-20 92.22 142.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.341 0 C-N-CA 122.725 0.41 . . . . 0.0 110.105 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.439 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -58.72 171.76 1.86 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.394 2.063 . . . . 0.0 112.737 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.439 ' HA ' ' CB ' ' B' ' 52' ' ' PRO . 12.8 t -116.19 113.79 23.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.751 0.42 . . . . 0.0 111.109 0.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.621 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.2 m95 -91.25 129.02 37.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 112.302 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.475 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 59.8 m-70 -103.01 133.12 48.66 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 50.2 t -127.32 138.77 53.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.09 0.472 . . . . 0.0 112.037 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.477 ' HB ' ' HB3' ' B' ' 84' ' ' LEU . 29.9 mm -131.4 139.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.739 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 45.3 t -153.87 133.54 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.939 0.399 . . . . 0.0 111.592 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.449 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 170.48 -145.24 8.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.66 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 17.7 mmm180 -162.29 36.99 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 170.56 79.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 62' ' ' PHE . 21.2 p90 -168.56 133.7 1.69 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.187 0.517 . . . . 0.0 112.281 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.14 131.65 10.7 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 52.7 m -115.16 137.32 52.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 2.6 t80 -151.55 117.15 5.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 25.5 t -156.48 170.14 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 92.0 m -124.42 141.98 51.66 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.414 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 30.3 p80 -162.41 151.72 15.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.927 0.394 . . . . 0.0 111.871 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -60.52 148.13 38.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.007 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.6 p -62.39 154.24 28.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.053 0.454 . . . . 0.0 111.668 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.712 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 66.15 38.75 4.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.817 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 86.7 m-70 -163.42 69.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.833 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.538 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.3 t80 -169.93 142.31 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' B' ' 18' ' ' GLN . 6.8 tt -159.63 140.73 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.255 0.55 . . . . 0.0 112.322 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.432 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 45.5 t80 -134.17 135.41 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.362 -0.836 . . . . 0.0 108.939 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' B' ' 22' ' ' VAL . 9.8 p90 -166.52 140.28 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.97 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.497 ' CD1' ' NH1' ' B' ' 60' ' ' ARG . 58.9 m-85 -88.96 148.64 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.264 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.474 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 22.3 tp -159.62 134.96 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.618 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.59 -65.3 0.28 Allowed Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.939 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.414 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 26.0 pt20 178.1 36.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.935 0.398 . . . . 0.0 110.332 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 26.8 m -159.61 137.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.097 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -77.37 143.52 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.647 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.503 HD11 ' N ' ' B' ' 83' ' ' ILE . 4.3 mp -126.5 138.74 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . 0.477 ' HB3' ' HB ' ' B' ' 57' ' ' ILE . 46.6 tp -135.6 145.95 47.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' B' ' 46' ' ' PHE . 61.9 tp -157.26 145.41 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.329 . . . . 0.0 111.352 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.538 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 14.2 p90 -178.17 130.13 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -89.4 145.56 25.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.913 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -115.25 120.83 40.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.677 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.459 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -99.38 135.79 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 1.1 m-20 -74.34 121.98 22.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.448 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 11.2 t -86.8 136.25 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.18 136.89 11.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.21 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -147.88 167.54 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.132 0.492 . . . . 0.0 111.631 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.544 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.0 pt20 -160.49 69.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 50.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.53 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.3 p-10 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.892 0.377 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.472 ' N ' ' O ' ' B' ' 66' ' ' VAL . 8.9 t -74.44 139.51 44.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.436 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -138.33 117.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.073 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 45.3 pt -161.16 170.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.36 . . . . 0.0 110.725 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -144.37 111.8 6.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.421 HG22 ' CE1' ' B' ' 62' ' ' PHE . 60.1 t -81.8 140.53 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.003 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.723 0.296 . . . . 0.0 111.567 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -98.38 136.75 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.084 0.468 . . . . 0.0 111.657 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.443 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -87.92 127.95 40.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.738 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 31.5 mmmt -81.22 -33.7 32.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.478 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -155.16 -48.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.426 ' CB ' HG21 ' A' ' 8' ' ' ILE . . . 64.12 145.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.636 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 33.7 t70 -169.55 62.68 0.05 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.069 0.461 . . . . 0.0 110.913 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.4 ptp -174.82 166.77 3.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -41.24 140.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.594 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -52.53 -48.21 66.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.351 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.3 -39.04 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.69 -51.67 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.72 -39.07 87.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.818 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.67 -44.1 87.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.578 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -60.79 -37.98 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.3 m -66.43 -42.54 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.962 0.41 . . . . 0.0 109.997 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 ' CG2' ' CE2' ' A' ' 76' ' ' PHE . 43.8 t -64.4 -45.91 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.211 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -64.51 -48.08 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.9 m -65.51 -34.61 78.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.356 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -70.76 -37.49 73.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.163 0.506 . . . . 0.0 109.769 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.9 m -65.09 -50.2 67.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.448 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 10.7 mm100 -59.29 -36.34 75.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.845 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.49 ' HB3' ' CG2' ' A' ' 38' ' ' ILE . . . -58.48 -48.74 79.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.004 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.34 -46.76 87.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.531 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 11.3 pt-20 -66.66 -28.21 68.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 9.0 mtpm? -85.67 -41.53 15.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.42 -46.39 2.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.84 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 66.9 49.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.993 0.425 . . . . 0.0 110.35 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.583 ' O ' HG12 ' A' ' 38' ' ' ILE . 55.5 mt -149.49 114.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -41.74 -44.54 3.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.26 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -64.11 -57.41 9.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.413 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.44 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.332 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' ' 34' ' ' ILE . 4.7 mm -50.73 -53.23 14.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.16 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.25 -57.76 8.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.823 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -64.05 -46.48 84.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.858 -179.339 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 64.7 mt -60.31 -37.62 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.11 -52.99 62.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -70.19 -43.0 71.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.904 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.61 -52.91 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.519 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.415 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 8.1 m-85 -71.48 -44.57 64.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.639 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.457 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 8.7 t0 -54.03 -35.99 62.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 4.5 tmtt? -73.89 -49.68 23.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.352 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.73 -70.01 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.296 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.519 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 5.8 m-30 -68.77 -15.88 63.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.866 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 66.0 m-20 95.37 145.38 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 C-N-CA 122.866 0.466 . . . . 0.0 111.095 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.457 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 20.5 Cg_endo -61.2 163.16 17.74 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.689 2.259 . . . . 0.0 112.432 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.3 t -120.41 130.47 54.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.132 0.573 . . . . 0.0 110.366 0.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m95 -97.56 128.83 44.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.482 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 32.9 m-70 -95.37 129.84 42.37 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.685 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.4 m -124.75 142.72 51.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.406 0.622 . . . . 0.0 112.451 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.489 HG22 HD11 ' A' ' 57' ' ' ILE . 51.9 mt -150.37 133.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.4 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.3 t -153.6 140.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.81 -135.92 3.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.702 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 76.8 mtp180 -159.74 36.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 162.05 84.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.505 ' HB3' ' CD2' ' B' ' 62' ' ' PHE . 3.6 p90 -155.33 129.22 8.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.07 135.43 12.43 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 109.779 -1.329 . . . . 0.0 109.779 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.1 t -154.36 154.1 32.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.187 0.994 . . . . 0.0 113.676 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -137.93 129.74 28.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.167 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 4' ' ' THR . 15.8 t -153.73 162.3 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.4 m -108.24 153.4 23.26 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.51 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 23.7 p80 -168.11 145.52 4.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.055 0.455 . . . . 0.0 112.185 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' ND1' ' A' ' 72' ' ' HIS . 17.3 tp10 -56.8 158.92 4.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.381 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.4 p -56.15 150.39 14.19 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.264 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.66 22.97 13.37 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.799 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.502 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 53.8 m170 -126.45 67.35 1.23 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.344 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.636 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 t80 -160.85 132.52 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 111.216 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.2 tt -162.64 140.41 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' A' ' 9' ' ' LYS . 38.0 t80 -152.52 136.2 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.676 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' CE2' ' CG2' ' A' ' 22' ' ' VAL . 2.0 p90 -168.99 140.85 2.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 0.0 111.902 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 7.3 m-85 -87.1 158.8 19.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.106 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 24.5 tp -165.2 133.97 3.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 111.668 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.55 -65.31 0.28 Allowed Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.094 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 179.4 35.96 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.5 m -158.41 136.35 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.96 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.75 128.03 34.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.04 136.39 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.424 ' HB3' ' HB ' ' A' ' 57' ' ' ILE . 64.3 tp -127.57 143.94 51.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.771 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.0 tp -155.19 142.26 19.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.053 0.454 . . . . 0.0 111.094 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 3.3 p90 -176.05 124.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.052 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 21.8 ptmt -94.12 170.61 9.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 0.0 111.85 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.607 179.86 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.74 0.305 . . . . 0.0 111.782 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 22.4 m -100.23 137.05 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.989 0.424 . . . . 0.0 111.63 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -84.34 141.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.963 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -128.54 -38.85 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.461 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -132.09 56.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 111.17 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.04 128.41 36.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.77 60.93 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.132 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.2 ttm -177.97 158.14 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 38.0 t -46.97 140.75 4.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.442 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.466 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 50.5 mt-10 -52.4 -44.65 65.47 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.863 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.461 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -59.29 -44.98 92.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.676 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.76 -46.15 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.294 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 16.7 pt20 -65.61 -36.69 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.517 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.461 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.5 pt20 -71.68 -39.13 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.838 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -69.83 -36.97 76.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.694 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.4 m -67.82 -42.61 81.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.923 0.392 . . . . 0.0 110.199 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.432 ' CG2' ' CE2' ' B' ' 76' ' ' PHE . 64.8 t -65.44 -46.87 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.1 -42.46 84.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.27 -35.36 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.614 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.531 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -68.39 -37.66 80.6 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.794 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.197 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.417 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 99.4 mm-40 -60.35 -40.82 92.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.177 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.49 ' HB1' HG12 ' B' ' 38' ' ' ILE . . . -57.13 -43.38 82.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.424 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 49.3 mt -62.56 -48.36 79.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.597 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 10.9 pt-20 -65.23 -29.06 69.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.746 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 21.8 ptmt -89.41 -37.99 14.42 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.426 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 42.4 m-85 -111.37 -43.75 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 67.19 41.06 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.39 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.534 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -151.26 124.14 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.58 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -48.85 -46.86 42.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.186 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 0.1 OUTLIER -60.95 -48.93 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -56.68 -41.96 78.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 111.202 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 34' ' ' ILE . 64.9 mt -54.38 -54.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.244 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.55 -28.19 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.386 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.46 -64.16 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.445 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -63.75 -45.32 90.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.592 -178.688 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.531 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 83.3 mt -59.75 -43.32 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.225 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.486 ' HD3' ' C ' ' B' ' 43' ' ' LYS . 5.8 tmtm? -57.83 -51.96 67.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.774 0.321 . . . . 0.0 110.514 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.54 -53.47 57.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.021 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.407 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.6 m-85 -70.15 -42.49 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.057 0.456 . . . . 0.0 110.825 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.8 t0 -55.03 -41.83 71.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -77.03 -46.95 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.51 -62.35 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.479 0.657 . . . . 0.0 112.137 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.4 m-85 -77.39 -15.71 59.23 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.991 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.53 143.18 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.405 0 C-N-CA 122.93 0.492 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.426 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 30.8 Cg_endo -63.85 167.07 14.53 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.48 2.12 . . . . 0.0 112.653 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.3 t -116.08 127.02 54.52 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.84 0.456 . . . . 0.0 110.643 -0.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.529 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 28.7 m95 -99.21 130.96 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 0.0 112.255 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.437 ' ND1' HG13 ' A' ' 66' ' ' VAL . 15.7 m-70 -110.59 133.6 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.839 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 49.3 t -134.43 153.53 51.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.415 0.626 . . . . 0.0 112.624 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.419 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 55.7 mt -149.55 143.41 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.169 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -155.25 136.35 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.271 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.42 -132.21 1.81 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.019 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 24.1 ptt-85 -177.78 36.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 111.52 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 166.13 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.99 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.505 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.1 p90 -173.38 141.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.383 0.611 . . . . 0.0 112.435 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -106.27 141.12 15.41 Favored Glycine 0 C--N 1.329 0.148 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.434 ' HB2' HG12 ' A' ' 57' ' ' ILE . 66.5 p -156.62 153.76 29.09 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -127.18 143.35 51.28 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.696 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.649 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 38.2 t -157.21 162.92 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-O 120.474 0.178 . . . . 0.0 111.297 -178.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 51.6 m -111.37 142.58 43.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.448 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 29.3 p80 -157.91 135.34 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 111.89 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -55.41 144.51 25.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.192 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 25.1 p -53.08 146.88 10.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.954 0.407 . . . . 0.0 111.556 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm 64.27 37.18 8.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.585 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -157.51 69.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.814 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.631 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 37.0 t80 -163.97 138.53 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.519 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.3 tt -158.66 135.95 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.312 0.577 . . . . 0.0 112.036 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -137.72 134.09 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.087 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.493 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 9.0 p90 -165.87 143.24 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.141 0.496 . . . . 0.0 112.053 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 6.1 m-85 -76.65 145.99 38.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.979 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.488 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 36.2 tp -168.59 141.29 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.834 0.349 . . . . 0.0 110.95 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' B' ' 80' ' ' GLN . . . 53.71 46.59 66.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.837 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 79' ' ' GLY . 17.5 pt20 47.34 39.55 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 35.3 m -159.28 137.28 2.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.625 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.23 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.097 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 53.6 mt -126.97 139.27 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 59.1 tp -136.44 142.55 43.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.736 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 61.0 tp -157.41 144.27 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.631 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 10.3 p90 179.63 134.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.3 ptmt -97.08 170.4 9.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 111.356 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 52.2 m -148.36 136.12 20.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.457 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tmm? . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 33.9 mmtp -157.14 135.53 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.4 p-10 -93.33 115.63 28.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.594 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 54.2 m -69.86 139.94 53.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.55 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.439 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -152.57 122.35 1.29 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.834 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.466 HD11 HG23 ' C' ' 8' ' ' VAL . 2.6 pp -161.47 138.54 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 111.98 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' C' ' 7' ' ' GLN . 22.2 pt20 -109.1 74.84 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.466 HG23 HD11 ' C' ' 6' ' ' ILE . 41.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.649 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.3 p-10 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.895 0.378 . . . . 0.0 111.596 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.491 ' N ' ' O ' ' B' ' 66' ' ' VAL . 14.5 t -74.76 144.02 43.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.288 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.82 129.66 3.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.099 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.403 ' O ' ' CD1' ' D' ' 6' ' ' ILE . 2.4 pp -160.84 143.41 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.296 0.569 . . . . 0.0 112.254 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.459 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 53.0 tt0 -122.61 116.31 23.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.465 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.74 143.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.966 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.633 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.526 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.73 0.3 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.1 m -104.25 136.85 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.969 0.414 . . . . 0.0 111.775 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -85.28 140.58 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.851 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -124.92 -33.86 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.402 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -138.66 58.85 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 111.326 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.11 140.42 38.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -175.53 59.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.424 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.0 ttm -177.47 157.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.692 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -46.32 140.99 3.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 50.5 mt-10 -53.5 -45.14 69.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.862 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 12.5 pt-20 -62.95 -40.71 98.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.544 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtt -65.07 -46.05 82.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.741 0.305 . . . . 0.0 111.308 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 15.6 pt20 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.539 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 18.6 pt20 -70.19 -38.72 75.41 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.342 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.57 -39.83 95.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.5 m -66.08 -45.01 82.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 0.0 110.165 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' A' ' 76' ' ' PHE . 47.0 t -63.04 -45.83 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.533 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -66.42 -45.56 79.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.3 m -65.3 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.041 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -70.64 -40.41 73.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.227 0.537 . . . . 0.0 109.683 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.4 m -60.42 -48.4 81.93 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.293 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -59.71 -36.86 77.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.705 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.525 ' HB1' HG12 ' A' ' 38' ' ' ILE . . . -58.58 -41.64 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.962 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' CD2' HD11 ' A' ' 38' ' ' ILE . 51.3 mt -65.56 -45.96 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.997 0.427 . . . . 0.0 110.982 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.261 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -87.86 -38.33 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.961 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 2.6 m-85 -109.93 -46.86 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 111.666 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 t30 64.8 42.93 4.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.102 0.477 . . . . 0.0 110.606 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.3 mt -152.82 116.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.116 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -43.95 -46.56 8.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.081 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HD3' ' NE2' ' D' ' 7' ' ' GLN . 17.6 ttpp -57.73 -53.82 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 59.6 m-20 -59.66 -40.27 87.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.935 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 34' ' ' ILE . 72.5 mt -48.11 -52.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.127 0.489 . . . . 0.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.2 -30.57 69.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.214 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 -59.88 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.931 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -66.13 -46.97 75.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 54.0 mt -59.49 -38.82 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 47' ' ' ASP . 25.4 ttpp -60.23 -56.14 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.742 0.306 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.76 -42.16 99.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.83 -49.09 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.423 ' CE1' HG22 ' A' ' 42' ' ' ILE . 6.0 m-85 -68.22 -42.18 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -58.86 -38.13 78.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.027 0.442 . . . . 0.0 110.706 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -69.19 -46.8 66.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.392 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -80.68 -70.1 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 6.6 m-30 -71.64 -14.45 62.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.93 143.05 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.552 0 C-N-CA 122.852 0.461 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.62 169.24 19.2 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.55 2.167 . . . . 0.0 113.061 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.43 ' OG1' ' CG2' ' B' ' 67' ' ' THR . 14.8 t -115.7 126.47 54.14 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.582 0.353 . . . . 0.0 111.053 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.602 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.2 m95 -95.52 133.06 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 112.39 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' ND1' HG11 ' B' ' 66' ' ' VAL . 52.3 m-70 -101.38 126.76 48.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.802 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.6 m -117.77 142.19 47.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.219 0.533 . . . . 0.0 111.784 -178.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.497 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 2.8 mp -143.44 143.98 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.138 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.8 t -157.18 134.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.06 0.457 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.95 -135.41 2.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.531 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.604 ' O ' ' HB3' ' A' ' 61' ' ' ASN . 39.5 ptt180 -174.81 29.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.604 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 10.9 p-10 161.27 85.8 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.503 ' H ' ' HB ' ' C' ' 8' ' ' VAL . 4.1 p90 -168.66 138.56 2.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.597 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.9 135.74 16.19 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.434 ' HA ' HD13 ' B' ' 57' ' ' ILE . 37.5 t -128.92 146.77 50.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.762 0.781 . . . . 0.0 112.861 -178.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -153.07 123.4 7.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.937 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 47.1 t -158.03 165.52 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.509 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 92.1 m -110.38 151.83 26.99 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.45 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 27.4 p80 -164.22 148.09 9.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.132 0.491 . . . . 0.0 112.22 -178.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.16 144.0 57.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.2 p -55.84 148.98 15.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.685 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 62.79 37.59 12.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.796 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.453 ' HB3' ' HG3' ' A' ' 87' ' ' LYS . 66.0 m80 -156.13 49.87 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.938 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.468 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 29.3 t80 -144.96 143.14 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.988 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.2 tt -161.19 139.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' A' ' 77' ' ' TYR . 41.0 t80 -143.28 134.43 25.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.65 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.459 ' CE2' ' CG2' ' A' ' 22' ' ' VAL . 2.1 p90 -167.71 138.14 2.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.848 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 7.0 m-85 -85.69 145.05 27.47 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.914 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.526 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 52.9 tp -170.19 145.37 2.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.55 39.74 75.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 54.18 38.27 28.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 110.809 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.7 m -156.93 131.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.13 132.27 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.437 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 83' ' ' ILE . 60.3 mt -116.82 131.81 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' HB3' ' HB ' ' A' ' 57' ' ' ILE . 55.7 tp -137.83 143.63 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.6 tp -154.9 143.47 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.486 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 12.2 p90 -179.89 130.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -100.09 170.62 8.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.204 0.526 . . . . 0.0 111.82 -178.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.04 -179.817 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -93.08 136.74 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 120.916 0.389 . . . . 0.0 111.669 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' B' ' 76' ' ' PHE . 8.5 tp -82.4 143.35 12.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.428 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.1 mmmt -112.3 -40.43 4.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -123.18 -51.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . 0.405 ' CB ' HG12 ' B' ' 8' ' ' ILE . . . 63.34 129.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.704 0.288 . . . . 0.0 110.666 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -178.94 64.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.042 0.448 . . . . 0.0 110.594 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' MET . . . . . 0.403 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 50.3 ttm -177.21 153.48 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.616 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.4 m -42.73 140.5 1.3 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 111.637 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.473 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.0 mt-10 -50.2 -49.42 52.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.867 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.514 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 24.6 pt-20 -58.2 -43.58 87.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.534 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 60.7 mtt -65.09 -45.74 83.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.172 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 16.8 pt20 -66.73 -38.87 87.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.383 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.514 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.1 pt20 -72.6 -37.28 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.286 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.3 t70 -70.11 -35.61 74.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -45.03 75.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.68 -46.71 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.322 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.59 -42.77 86.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.079 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -62.51 -34.07 76.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.901 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.54 76.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.182 0.515 . . . . 0.0 109.948 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -62.53 -47.17 85.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -59.74 -40.11 87.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.284 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.443 ' CB ' ' CD2' ' B' ' 41' ' ' HIS . . . -58.01 -46.25 85.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.766 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' B' ' 33' ' ' ASN . 46.3 mt -58.24 -42.81 87.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 110.574 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.467 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 62.6 mttp -81.16 -46.82 14.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.68 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.424 ' CD2' ' OD2' ' B' ' 37' ' ' ASP . 84.2 m-85 -120.79 -39.72 2.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.655 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 29' ' ' LEU . 49.5 t30 67.74 47.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.486 . . . . 0.0 110.023 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 38' ' ' ILE . 61.6 mt -143.67 133.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.606 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -46.39 -51.02 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.45 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -57.07 -56.55 20.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.657 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.424 ' OD2' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -52.82 -43.21 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.31 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 34' ' ' ILE . 82.0 mt -48.19 -43.36 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.962 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.08 76.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.242 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.95 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . 0.467 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 60.5 m-70 -64.49 -58.48 6.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.09 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' CD2' ' B' ' 85' ' ' LEU . 60.2 mt -64.61 -43.86 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' B' ' 43' ' ' LYS . 1.1 tmtp? -64.04 -56.64 13.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.21 -51.31 69.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 5.2 mm-40 -55.08 -47.05 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.34 . . . . 0.0 111.585 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.6 m-85 -73.31 -41.22 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 0.8 OUTLIER -59.97 -39.36 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -70.51 -43.89 68.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 26.5 mtpp -82.29 -66.55 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.9 m-30 -73.42 -16.05 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 60.8 m-20 92.32 140.87 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 122.813 0.445 . . . . 0.0 110.709 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.423 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 39.4 Cg_endo -66.67 171.08 11.36 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.555 2.17 . . . . 0.0 112.825 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.43 HG22 ' CE1' ' B' ' 55' ' ' HIS . 12.2 t -115.67 123.98 49.73 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.732 0.413 . . . . 0.0 110.915 0.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.638 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.1 m95 -91.6 126.82 36.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.471 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 28.5 m-70 -95.61 136.58 35.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.96 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 50.0 t -142.38 142.63 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.51 0.671 . . . . 0.0 112.453 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.494 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 34.3 mm -144.23 146.06 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.261 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.5 t -154.96 138.17 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.867 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.64 -141.17 4.84 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.76 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 76.3 mtp180 -154.21 27.3 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.516 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 36.4 t30 164.68 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 122.684 0.394 . . . . 0.0 110.116 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.494 ' CE2' ' CG2' ' B' ' 57' ' ' ILE . 3.3 p90 -156.18 130.75 8.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.133 0.492 . . . . 0.0 111.693 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -110.98 137.67 14.46 Favored Glycine 0 C--O 1.229 -0.2 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 78.1 p -163.39 167.84 21.16 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' D' ' 4' ' ' THR . 11.2 m-85 -130.86 145.78 52.1 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.132 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 21.6 t -158.28 161.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.837 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.43 ' CG2' ' OG1' ' A' ' 53' ' ' THR . 8.9 t -112.45 156.31 22.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -167.78 146.69 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -62.03 148.2 44.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.007 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 76.3 p -54.74 151.7 8.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.9 mmpt? 61.01 39.38 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.32 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.427 ' CE1' ' HD3' ' B' ' 87' ' ' LYS . 90.9 m-70 -157.47 69.59 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.538 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 42.1 t80 -163.77 138.32 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.4 tt -161.19 138.2 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.0 111.668 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.436 ' OH ' ' CG2' ' D' ' 8' ' ' VAL . 3.9 t80 -141.48 137.82 32.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.436 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.3 p90 -170.3 142.42 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.941 0.4 . . . . 0.0 112.024 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.412 ' CD1' ' HD3' ' B' ' 9' ' ' LYS . 42.7 m-85 -79.67 148.81 31.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 40.2 tp -165.92 138.87 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.47 40.51 69.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.353 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 57.14 37.77 28.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.785 0.326 . . . . 0.0 110.928 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' B' ' 78' ' ' LEU . 33.5 m -156.4 137.33 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 132.72 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.402 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.402 HD11 HG21 ' B' ' 83' ' ' ILE . 57.8 mt -119.18 142.19 35.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.553 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.2 tp -138.87 137.33 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.147 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.427 ' CD2' ' CG2' ' B' ' 42' ' ' ILE . 50.8 tp -152.23 138.52 18.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.538 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -177.89 124.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.1 ptmm? -87.05 170.39 11.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.29 0.567 . . . . 0.0 112.337 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 48.2 m -154.58 131.11 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.632 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.508 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.823 0.344 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 65.4 mttp -157.3 137.62 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.185 0.517 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 46.0 p-10 -87.37 124.37 33.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.17 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 66' ' ' VAL . 24.1 m -76.14 148.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.276 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.436 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -158.68 127.61 1.89 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.397 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.7 pp -160.29 140.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.063 0.459 . . . . 0.0 111.348 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.402 ' NE2' ' CG2' ' B' ' 34' ' ' ILE . 50.2 tt0 -103.93 83.94 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.641 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.503 ' HB ' ' H ' ' A' ' 62' ' ' PHE . 58.6 t . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.632 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 1.8 p30 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.163 0.506 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 66' ' ' VAL . 13.7 t -74.64 148.55 40.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.9 129.28 2.94 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.442 ' O ' ' HA2' ' B' ' 63' ' ' GLY . 2.5 pp -160.24 138.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 0.0 111.775 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.47 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 23.6 pt20 -117.79 80.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.13 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.436 ' CG2' ' OH ' ' B' ' 75' ' ' TYR . 29.0 t -69.58 141.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.928 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.535 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.41 139.05 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.432 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.463 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -84.13 117.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.212 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -76.14 -46.03 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.573 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -159.7 107.22 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.724 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.48 148.22 27.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 9.8 t70 -165.87 59.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.6 ptp 179.38 -163.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -68.39 137.28 54.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.856 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -56.91 -43.83 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.67 -44.24 93.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.01 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.01 -43.58 86.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.947 0.403 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' HA ' ' CD1' ' A' ' 74' ' ' ILE . 62.8 mt-30 -59.42 -45.77 90.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.98 -44.43 96.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.917 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.77 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -67.73 -44.01 78.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.171 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.425 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 59.8 t -65.8 -45.57 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.544 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.43 -41.59 84.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.218 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.66 -34.19 77.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.042 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -70.42 -40.5 73.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 109.787 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.6 m -57.38 -45.27 84.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.061 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.565 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 25.9 mt-30 -60.53 -44.56 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.476 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.496 ' HB2' HG12 ' A' ' 38' ' ' ILE . . . -50.46 -40.31 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.981 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 61.8 mt -65.33 -51.54 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.0 -29.28 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 11.5 mptt -82.04 -32.25 30.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.931 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -133.71 -43.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.008 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 22.9 t-20 66.53 49.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.575 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.2 mt -149.45 114.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.183 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.422 ' OE2' ' HA2' ' A' ' 59' ' ' GLY . 50.6 mt-10 -43.45 -49.25 7.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.764 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HD3' ' HB3' ' D' ' 7' ' ' GLN . 33.8 ttpt -56.88 -56.94 15.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -58.26 -43.73 88.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.056 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 34' ' ' ILE . 85.1 mt -47.98 -53.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 111.383 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.63 78.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -67.19 -60.32 2.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.507 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 77.7 mt -58.56 -54.52 32.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HD3' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.83 -32.78 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.201 -179.466 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.65 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 59.0 mtpt -65.82 -47.1 76.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.492 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -61.3 -42.73 99.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.798 0.332 . . . . 0.0 110.969 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.43 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 10.0 m-85 -71.11 -42.41 69.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.65 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.2 p30 -64.4 -31.78 73.13 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -73.81 -40.46 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.134 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -82.68 -50.82 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.533 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.8 m-85 -88.37 -15.34 35.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 40.4 t30 94.13 134.32 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 122.849 0.459 . . . . 0.0 110.343 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.83 167.59 2.93 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.723 2.282 . . . . 0.0 112.797 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.2 t -114.73 134.62 54.95 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.741 0.416 . . . . 0.0 111.012 0.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 32.0 m95 -101.16 128.97 47.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 112.451 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -104.06 136.87 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 38.6 t -144.12 152.43 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.6 mt -148.19 150.51 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.976 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -154.94 132.18 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.997 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.422 ' HA2' ' OE2' ' A' ' 35' ' ' GLU . . . -178.16 -133.03 1.8 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.315 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 8.3 ptm180 -176.36 41.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 157.71 85.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 18.4 p90 -172.72 139.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.314 0.578 . . . . 0.0 112.495 -178.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.73 132.87 11.47 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.411 ' HB2' HD12 ' C' ' 6' ' ' ILE . 47.3 m -125.66 142.26 51.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.451 0.626 . . . . 0.0 112.605 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -149.0 121.79 8.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.845 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' C' ' 4' ' ' THR . 25.2 t -158.82 163.85 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.853 -177.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 44.1 p -95.63 165.39 12.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 23.7 p80 -167.66 143.67 4.06 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.7 144.95 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.504 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 73.0 p -53.84 147.45 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.618 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 74.2 mmtt 61.29 36.61 17.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.472 ' CE1' ' CE ' ' A' ' 87' ' ' LYS . 83.0 m-70 -155.06 54.56 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.326 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.4 t80 -145.9 137.05 24.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.393 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 18' ' ' GLN . 9.9 tt -160.45 141.2 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 121.071 0.462 . . . . 0.0 111.704 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.434 ' CE2' HG12 ' C' ' 6' ' ' ILE . 3.8 t80 -145.68 141.01 27.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.814 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 22' ' ' VAL . 2.1 p90 -169.18 138.81 2.13 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.047 0.451 . . . . 0.0 112.148 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.19 154.25 20.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.356 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.5 tp -154.97 131.03 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.015 0.436 . . . . 0.0 111.498 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 80' ' ' GLN . . . 65.5 -81.56 0.08 OUTLIER Glycine 0 CA--C 1.504 -0.627 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 79' ' ' GLY . 77.9 mt-30 -162.5 40.94 0.12 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.934 0.397 . . . . 0.0 110.114 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.38 133.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.194 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.38 137.77 40.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.463 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.7 mt -122.12 142.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.5 tp -143.49 139.35 29.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -152.26 141.57 21.5 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.435 ' CD2' ' HB3' ' A' ' 68' ' ' HIS . 27.9 p90 -177.11 132.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.76 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.8 pttt -97.12 170.4 9.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.796 -179.856 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.769 0.319 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.6 m -95.2 136.24 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 120.946 0.403 . . . . 0.0 111.384 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -88.5 130.27 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.402 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . 0.411 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.4 mmmt -86.63 -37.81 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.026 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -172.19 72.0 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.288 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.3 148.49 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.184 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.5 t70 -165.09 62.75 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.936 0.398 . . . . 0.0 111.343 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.2 ptm -178.13 -169.56 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' SER . . . . . 0.41 ' HB2' ' HG3' ' B' ' 17' ' ' MET . 59.5 m -64.33 141.27 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.418 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 24.5 pt-20 -59.16 -43.31 92.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.298 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.46 -37.96 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.068 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' MET . . . . . 0.41 ' HG3' ' HB2' ' B' ' 14' ' ' SER . 65.3 mtt -66.42 -49.52 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.743 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.4 pt20 -66.36 -40.42 89.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.695 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.8 -37.45 73.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.431 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -70.75 -33.56 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.276 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -68.76 -46.44 68.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.448 ' CG2' ' CZ ' ' B' ' 76' ' ' PHE . 60.5 t -60.7 -47.02 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.276 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.98 -46.56 77.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.111 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.33 -32.95 74.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.759 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.86 84.13 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 109.671 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -62.34 -46.41 88.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -57.54 -44.63 85.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.513 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.37 -44.82 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.931 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 33' ' ' ASN . 60.9 mt -58.12 -43.64 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.0 -31.2 71.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -80.36 -39.56 28.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.575 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 56.4 m-85 -127.71 -42.75 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' LEU . 23.4 t-20 70.23 50.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.431 ' O ' HG13 ' B' ' 38' ' ' ILE . 50.1 mt -147.62 131.4 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.523 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -46.6 -46.89 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.879 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.98 -57.2 13.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 111.304 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -53.43 -43.02 67.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.431 HG13 ' O ' ' B' ' 34' ' ' ILE . 75.2 mt -48.52 -40.6 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.98 77.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.096 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -49.78 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.544 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -63.85 -54.43 35.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.08 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 58.1 mt -58.55 -50.01 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.529 ' C ' ' HD2' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -61.62 -55.25 32.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -57.91 -45.6 86.26 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -56.16 -47.11 78.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.558 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 38.0 m-85 -71.19 -45.04 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -31.89 66.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 0.0 110.76 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.513 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 4.3 tmtt? -76.58 -41.82 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.042 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -85.66 -57.48 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.1 m-85 -84.51 -21.24 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.9 m-20 93.6 142.48 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 122.644 0.378 . . . . 0.0 110.281 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.21 168.83 1.78 Allowed 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.546 2.164 . . . . 0.0 113.123 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.431 HG21 ' CE1' ' B' ' 55' ' ' HIS . 15.2 t -118.51 120.08 36.45 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 111.34 0.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.596 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 22.4 m95 -94.26 135.92 35.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.927 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.49 ' ND1' HG12 ' A' ' 66' ' ' VAL . 20.8 m-70 -111.13 139.43 46.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.1 t -140.61 154.21 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.415 0.626 . . . . 0.0 112.599 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.439 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 53.6 mt -149.23 143.24 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.452 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . 0.428 ' N ' HG23 ' B' ' 57' ' ' ILE . 49.0 t -144.31 133.25 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 111.499 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' B' ' 60' ' ' ARG . . . 169.57 -135.12 3.43 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.879 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' B' ' 60' ' ' ARG . 52.3 ttm-85 175.04 46.94 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 110.925 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 38.7 t30 172.23 70.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.359 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.571 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 19.9 p90 -168.11 143.63 3.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.13 135.44 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.4 m -136.91 147.23 46.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 118.102 0.951 . . . . 0.0 113.268 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 5.5 t80 -146.06 128.6 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.397 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' D' ' 4' ' ' THR . 32.8 t -156.38 168.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.157 -177.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.3 m -108.65 150.37 27.63 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.487 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.6 p80 -161.75 143.63 11.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.273 0.559 . . . . 0.0 112.29 -178.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.16 149.63 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.931 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.9 p -53.03 152.74 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.383 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.2 mmtp 62.2 40.35 11.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.345 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 92.6 m-70 -158.29 69.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.745 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.49 ' HB3' ' HB3' ' B' ' 12' ' ' ASP . 2.1 t80 -153.07 129.4 10.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.425 ' CG2' ' HB3' ' B' ' 85' ' ' LEU . 10.5 tt -158.99 145.58 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.357 0.599 . . . . 0.0 111.966 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' B' ' 9' ' ' LYS . 3.8 t80 -156.79 133.89 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.09 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 8.5 p90 -165.39 140.0 4.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 112.183 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.455 ' CE1' ' CB ' ' B' ' 82' ' ' ALA . 46.9 m-85 -77.27 144.16 38.37 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.893 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.456 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 50.4 tp -170.19 140.69 1.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.87 39.82 79.16 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' B' ' 80' ' ' GLN . 0.4 OUTLIER 58.04 35.33 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.654 0.264 . . . . 0.0 111.118 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 27.8 m -159.89 128.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.139 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.455 ' CB ' ' CE1' ' B' ' 77' ' ' TYR . . . -70.55 133.14 46.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.298 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.432 HD13 HG21 ' B' ' 83' ' ' ILE . 56.8 mt -110.4 138.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.4 tp -129.86 140.56 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' B' ' 74' ' ' ILE . 61.2 tp -156.33 145.12 20.2 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 17.6 p90 178.05 129.16 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.596 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -99.9 170.44 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.159 0.504 . . . . 0.0 112.009 -178.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' B' ' 68' ' ' HIS . 25.4 m -145.83 137.79 25.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.896 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.64 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mmm . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -156.79 122.8 4.87 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.678 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.5 p30 -170.21 127.82 0.85 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.502 0.667 . . . . 0.0 112.406 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.572 ' N ' ' O ' ' A' ' 66' ' ' VAL . 28.7 m -71.82 142.37 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.306 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.443 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -151.29 123.61 1.54 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.849 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.8 pp -160.41 142.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.145 0.497 . . . . 0.0 112.092 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' C' ' 7' ' ' GLN . 2.9 pt20 -103.69 90.01 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.083 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.437 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 40.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 111.366 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.687 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 42.1 p30 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.162 0.506 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.535 ' N ' ' O ' ' B' ' 66' ' ' VAL . 14.8 t -71.35 148.09 47.37 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.328 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . 0.436 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -152.07 123.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.293 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.6 pp -161.49 142.3 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 0.0 111.68 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 36' ' ' LYS . 26.2 pt20 -116.23 131.3 56.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.746 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' B' ' 62' ' ' PHE . 81.9 t -131.15 137.55 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 34.8 t70 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.696 0.284 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 19.6 m -100.1 138.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.44 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -92.58 129.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.323 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 74.8 mmtt -106.04 -33.39 7.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.297 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -150.68 136.24 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.861 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.08 138.28 16.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 111.574 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -145.86 57.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.098 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 21.6 ptm -163.12 160.8 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.873 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -43.5 141.31 1.44 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.785 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 12.2 pt-20 -54.77 -45.09 74.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.578 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.29 -43.24 96.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.418 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 85.3 mtp -61.28 -51.48 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 15.2 pt20 -60.49 -38.17 83.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -65.13 -44.34 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 110.182 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.49 -34.3 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.199 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -65.25 -44.0 89.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 109.856 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.432 HG23 ' CE2' ' A' ' 76' ' ' PHE . 60.7 t -66.28 -43.53 91.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.451 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -65.45 -46.32 80.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 21' ' ' SER . 27.6 p -68.74 -31.01 69.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.25 82.38 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -62.61 -46.56 87.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.368 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -57.16 -44.68 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.496 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -56.59 -45.18 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' ASN . 54.7 mt -57.84 -43.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -67.52 -30.56 70.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.397 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HD2' ' CE1' ' A' ' 41' ' ' HIS . 99.5 mttt -79.7 -36.37 37.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.556 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 59.3 m-85 -132.91 -42.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 68.52 49.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 0.0 110.569 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 38' ' ' ILE . 43.7 mt -143.33 142.77 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.678 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.484 ' HG2' ' HA2' ' A' ' 59' ' ' GLY . 4.9 mp0 -49.55 -55.05 14.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.729 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -58.96 -53.13 61.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.398 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.426 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.3 m-20 -50.51 -44.22 56.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.678 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 34' ' ' ILE . 75.4 mt -52.53 -41.84 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.67 78.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.202 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.24 72.76 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.879 0.371 . . . . 0.0 111.395 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.424 ' CE1' ' HD2' ' A' ' 31' ' ' LYS . 76.5 m-70 -66.31 -55.92 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.431 HG21 ' CD2' ' A' ' 46' ' ' PHE . 60.3 mt -55.71 -51.13 62.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.066 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -59.65 -52.09 67.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.842 -178.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 68.0 mttm -63.78 -51.34 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -52.13 -46.56 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.414 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.662 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 38.8 m-85 -75.41 -46.89 30.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.649 0.261 . . . . 0.0 111.343 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 5.5 t70 -52.54 -36.92 56.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 110.777 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -85.82 -42.0 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -75.25 -61.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.6 m-85 -84.1 -17.63 39.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.203 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.65 148.19 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.431 0.457 . . . . 0.0 109.821 -179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.3 167.88 5.58 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 121.917 1.745 . . . . 0.0 112.138 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.4 t -116.29 126.99 54.32 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.915 0.486 . . . . 0.0 110.605 0.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.662 ' CE2' ' HB3' ' A' ' 46' ' ' PHE . 23.5 m95 -105.4 134.45 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 20.7 m-70 -110.26 139.61 45.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.188 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.5 t -137.74 151.92 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 112.199 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.41 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 59.1 mt -149.53 145.49 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.032 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.3 t -156.17 138.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.936 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.484 ' HA2' ' HG2' ' A' ' 35' ' ' GLU . . . 179.29 -137.39 3.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.459 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 55.5 ttp180 -174.42 39.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.787 0.327 . . . . 0.0 110.783 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 24.1 t-20 157.92 83.34 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.957 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.504 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 21.4 p90 -173.16 136.08 0.62 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.2 0.524 . . . . 0.0 112.354 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -86.88 135.28 13.11 Favored Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.349 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.413 ' HB2' HD12 ' C' ' 6' ' ' ILE . 28.6 m -129.3 144.16 51.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.346 0.573 . . . . 0.0 112.239 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.505 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 11.9 t80 -145.2 126.55 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.021 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' C' ' 4' ' ' THR . 39.9 t -157.95 168.53 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.51 -177.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.2 m -118.95 151.49 38.08 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.414 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 26.5 p80 -167.13 143.48 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 11.9 pt-20 -65.06 150.79 47.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.792 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.6 p -53.9 149.95 8.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.587 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.711 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 68.8 36.57 2.62 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.415 -179.553 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.436 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 60.6 m80 -158.37 65.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 37.1 t80 -164.17 140.37 6.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.408 HD13 ' CB ' ' A' ' 18' ' ' GLN . 10.1 tt -161.43 138.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.151 0.501 . . . . 0.0 111.617 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.403 ' OH ' ' CE1' ' A' ' 77' ' ' TYR . 46.0 t80 -142.01 137.97 31.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.93 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 8.8 p90 -166.16 139.78 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.061 0.458 . . . . 0.0 112.027 -179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' A' ' 9' ' ' LYS . 61.8 m-85 -80.32 146.13 31.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.556 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . 47.8 tp -170.16 143.89 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 111.35 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.97 41.45 92.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.336 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 70.3 mt-30 55.26 34.37 22.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 30.6 m -159.3 137.8 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.89 144.97 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.289 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 83' ' ' ILE . 59.1 mt -132.68 137.99 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.0 tp -132.72 145.74 51.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.349 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.429 HD23 ' CE2' ' A' ' 46' ' ' PHE . 60.6 tp -153.36 141.95 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.645 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.456 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 6.1 p90 179.46 130.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.561 ' HD3' ' CE2' ' A' ' 54' ' ' TRP . 56.3 pttt -103.98 170.23 8.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.355 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.616 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.048 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.5 m -94.79 136.69 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.018 0.437 . . . . 0.0 111.416 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -86.29 136.66 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.264 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -117.09 -51.29 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -96.17 -79.87 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.2 131.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 112.157 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.422 ' OD2' ' HB3' ' B' ' 73' ' ' PHE . 12.4 p-10 -178.37 68.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.995 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 19.8 ptm -169.73 178.67 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.379 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.1 p -51.16 136.33 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.426 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 50.4 mt-10 -53.58 -40.92 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.928 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -60.44 -46.4 90.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.519 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 67.4 mtt -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.754 0.312 . . . . 0.0 111.236 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 18.7 pt20 -65.23 -37.53 87.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.886 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -70.88 -39.95 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.19 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -71.53 -35.41 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.546 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.4 p -67.76 -41.6 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.293 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.42 -47.84 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -68.73 -42.6 77.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.059 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.12 -33.18 75.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.945 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . 0.516 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.99 -39.06 76.14 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.162 0.505 . . . . 0.0 109.942 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.6 m -61.06 -46.35 91.04 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.507 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.74 -39.67 89.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.001 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.429 ' HB2' HG12 ' B' ' 38' ' ' ILE . . . -56.26 -45.65 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.22 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 52.3 mt -63.39 -47.11 83.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.71 -30.57 70.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.494 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -87.59 -36.07 17.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.51 -43.69 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 65.16 39.42 5.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 110.41 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.555 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.7 mt -152.41 128.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -49.48 -48.15 48.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.296 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -59.31 -56.21 24.96 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -52.86 -41.99 64.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 34' ' ' ILE . 85.6 mt -51.42 -52.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.033 0.444 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.88 -30.33 70.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.591 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -66.36 -62.76 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -43.1 88.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.879 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 79.9 mt -60.99 -44.52 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LYS . . . . . 0.505 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 59.5 tttm -63.34 -53.55 50.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.702 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -58.66 -32.8 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.268 . . . . 0.0 111.459 -179.232 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' B' ' 44' ' ' LYS . 5.5 tp10 -66.99 -49.08 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.59 -39.1 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 17.6 m-20 -58.96 -41.44 87.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.048 0.451 . . . . 0.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -72.32 -42.22 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.665 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.45 -63.3 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.3 m-85 -82.03 -12.72 58.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.1 m120 91.01 140.61 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 122.752 0.421 . . . . 0.0 110.479 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' PRO . . . . . 0.442 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 41.8 Cg_endo -66.93 171.68 10.81 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.543 2.162 . . . . 0.0 112.963 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.459 HG23 ' CE1' ' B' ' 55' ' ' HIS . 11.1 t -116.7 117.27 29.34 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 122.777 0.431 . . . . 0.0 111.213 0.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' TRP . . . . . 0.662 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.6 m95 -88.02 119.85 28.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.914 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.459 ' CE1' HG23 ' B' ' 53' ' ' THR . 29.0 m-70 -91.85 139.25 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 47.9 t -140.39 148.64 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.391 0.615 . . . . 0.0 112.557 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.454 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 52.8 mt -149.67 144.53 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.684 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 60.6 t -152.54 139.71 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 111.371 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.86 -128.72 1.46 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.3 ptt180 -176.96 39.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.269 . . . . 0.0 111.426 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 163.53 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.714 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.504 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 2.4 p90 -162.85 132.45 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -98.74 142.46 16.09 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 177.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -159.7 152.83 21.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.124 0.962 . . . . 0.0 113.279 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' TYR . . . . . 0.473 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 3.7 t80 -133.88 135.0 43.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.759 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.489 ' HB ' ' CG2' ' D' ' 4' ' ' THR . 33.0 t -156.69 165.47 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 59.2 m -112.17 155.43 23.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.435 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.4 p80 -165.56 147.72 7.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.262 0.553 . . . . 0.0 112.49 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.28 139.89 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.771 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -56.21 150.6 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.458 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . 0.576 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 61.41 38.11 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -158.34 69.01 0.49 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.555 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.485 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 48.1 t80 -162.51 140.25 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.117 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.404 HD11 ' CB ' ' B' ' 18' ' ' GLN . 10.9 tt -157.2 137.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.337 0.589 . . . . 0.0 111.975 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -135.52 137.8 42.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.374 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 8.6 p90 -167.47 141.37 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.436 -0.505 . . . . 0.0 112.155 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 56.5 m-85 -77.31 149.9 35.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.245 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . 0.489 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 41.0 tp -167.37 138.68 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 111.331 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 53.93 39.95 63.96 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.37 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' GLN . . . . . 0.401 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 99.0 mm-40 58.41 37.89 25.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.852 0.358 . . . . 0.0 111.057 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 31.3 m -158.72 136.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.722 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.83 137.45 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ILE . . . . . 0.408 ' CD1' ' HB3' ' B' ' 78' ' ' LEU . 51.3 mt -127.12 140.24 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 57.9 tp -137.47 141.82 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.991 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 52.7 tp -156.12 142.22 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.708 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.485 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.6 p90 -177.28 127.17 0.15 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.045 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . 0.662 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -87.34 159.53 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.332 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.4 m -144.53 138.43 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.526 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.682 0.277 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -153.16 136.03 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 111.263 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ASP . . . . . 0.662 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 40.5 p30 -70.3 127.8 34.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.875 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' VAL . 11.6 t -75.55 135.95 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.085 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . 0.442 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -135.43 117.75 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.259 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.442 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.5 pp -161.9 170.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' GLN . . . . . 0.406 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 3.0 pm0 -163.17 120.94 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 110.925 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 3' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 42.8 m-20 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.653 0.263 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 4' ' ' THR . . . . . 0.489 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 13.6 t -80.5 141.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.05 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.9 135.39 7.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.42 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -156.01 170.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 111.544 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' GLN . . . . . 0.5 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.9 pt20 -159.95 69.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.67 142.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' D' ' 9' ' ' ASP . 9.8 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.696 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.825 0.345 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -178.85 -44.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -59.91 141.2 55.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.449 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 3.4 tpm_? -170.22 134.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -62.73 -80.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.622 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . . . 60.48 120.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.657 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -96.07 136.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 121.126 0.489 . . . . 0.0 111.93 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -95.66 146.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.675 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -137.33 -44.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.517 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.3 m120 -110.15 49.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.754 0.312 . . . . 0.0 111.305 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.87 124.99 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -161.55 52.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 ttm -170.01 157.52 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.3 m -43.1 140.82 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.48 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.5 mt-10 -52.88 -48.87 66.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.682 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.38 -43.08 88.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.23 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.5 mtt -60.8 -51.27 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.039 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 16.0 pt20 -62.37 -39.08 92.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.07 -41.0 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.54 -36.88 81.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.682 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.8 t -67.79 -44.22 77.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.006 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.53 -47.49 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.86 -43.67 78.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.984 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.64 -32.32 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.386 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -68.73 -38.57 80.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.72 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -59.68 -47.73 84.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.93 -39.72 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.872 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' CB ' HG12 ' A' ' 38' ' ' ILE . . . -55.64 -45.42 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.128 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 50.6 mt -61.67 -48.95 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.54 -32.74 74.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.466 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.69 -33.76 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.2 m-85 -123.98 -46.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t30 65.06 43.6 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.383 . . . . 0.0 110.626 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.511 ' O ' HG13 ' A' ' 38' ' ' ILE . 40.6 mm -148.07 131.0 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 24.2 pt-20 -52.66 -49.11 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.117 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 17.0 ttpp -66.26 -54.67 22.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.99 -48.23 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.44 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 34' ' ' ILE . 72.1 mt -53.67 -48.98 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.025 0.44 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -64.49 -32.1 73.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.32 14.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -62.83 -49.05 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -178.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 60.0 mt -60.88 -42.87 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.638 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -56.84 -52.32 65.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.905 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.87 -45.34 90.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' OE1' ' CE1' ' A' ' 41' ' ' HIS . 57.4 mt-10 -56.47 -48.07 77.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -65.45 -39.49 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.48 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -62.69 -38.57 90.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.995 0.426 . . . . 0.0 110.843 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 4.2 tmtt? -70.7 -40.0 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -82.78 -55.94 4.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -87.59 -18.28 30.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 42.8 t30 96.63 138.26 0.03 OUTLIER Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 123.381 0.425 . . . . 0.0 110.277 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -56.72 166.59 3.62 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.797 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.489 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -120.42 123.46 43.08 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.829 0.452 . . . . 0.0 110.995 0.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.572 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 20.8 m95 -94.59 133.51 38.15 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.179 0.514 . . . . 0.0 111.955 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.487 ' HD1' HG11 ' B' ' 66' ' ' VAL . 21.2 m-70 -106.82 133.92 50.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.3 t -135.25 139.57 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.444 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.468 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 2.6 mp -139.92 143.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.38 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -151.51 139.21 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.474 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.97 -131.28 2.0 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.167 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.4 ptt180 -178.35 37.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 111.367 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 170.62 79.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.205 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 3.4 p90 -168.28 133.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -96.71 143.43 16.73 Favored Glycine 0 N--CA 1.452 -0.243 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -160.61 154.44 22.62 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -136.52 137.18 40.03 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 114.127 -1.397 . . . . 0.0 109.375 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 7.1 t -155.78 159.12 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.589 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 86.1 m -108.85 155.15 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 22.5 p80 -167.63 146.54 4.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.314 0.578 . . . . 0.0 112.311 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.09 154.93 21.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.4 p -56.77 145.74 28.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.792 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 6.9 mmpt? 64.84 14.31 9.12 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.691 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.472 ' CE1' ' HE3' ' A' ' 87' ' ' LYS . 46.0 m170 -122.43 58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.39 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 23.3 t80 -158.45 139.69 13.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 0.0 111.558 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.5 tt -159.85 139.53 3.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.372 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 3.8 t80 -144.19 138.56 28.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.654 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.4 p90 -167.99 138.94 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.964 0.411 . . . . 0.0 111.487 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 7.7 m-85 -80.12 145.37 32.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.74 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 60.1 tp -170.24 145.29 2.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.281 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.13 40.71 84.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.394 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 54.24 36.29 24.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.6 m -158.44 134.4 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.89 130.59 42.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -112.77 138.28 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.9 tp -134.22 139.12 45.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.9 tp -154.97 136.75 14.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 3.2 p90 -175.15 127.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.392 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.3 pttt -95.56 170.37 9.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.152 0.501 . . . . 0.0 111.814 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.9 t -150.1 136.35 18.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.795 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.529 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mmm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.743 0.306 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.85 136.03 57.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -157.98 133.77 9.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.49 ' HB2' ' NH1' ' B' ' 4' ' ' ARG . 0.1 OUTLIER 60.97 42.2 13.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.024 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -73.02 -134.32 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.286 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . 63.73 127.14 0.01 OUTLIER 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.753 0.311 . . . . 0.0 111.487 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.2 m -95.31 136.28 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 111.681 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -81.65 148.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.254 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -137.73 -41.23 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.352 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.431 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 76.9 m-20 -126.34 52.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.17 137.01 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.321 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -178.71 62.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.5 ttm -175.81 158.97 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.727 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.1 m -44.69 140.76 2.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 50.4 mt-10 -51.53 -47.8 63.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.723 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.6 pt-20 -57.82 -44.51 86.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.561 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 61.2 mtt -63.98 -46.11 86.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.153 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.46 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 16.7 pt20 -66.76 -39.28 87.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.501 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.5 pt20 -72.9 -35.98 67.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.22 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.504 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.3 t0 -69.33 -37.04 77.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.556 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 59.7 m -67.72 -42.88 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.231 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.55 -47.2 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.655 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.504 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -68.34 -43.4 77.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.74 -34.96 78.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.894 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.02 -40.03 72.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.314 0.578 . . . . 0.0 109.538 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -58.86 -45.93 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.275 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.6 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 99.1 mm-40 -59.18 -48.02 83.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.608 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.515 ' HA ' ' CE ' ' B' ' 31' ' ' LYS . . . -46.95 -43.85 19.48 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.999 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.424 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 50.8 mt -65.16 -42.21 93.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.8 -37.32 85.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.775 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.607 ' HG3' ' HD1' ' B' ' 32' ' ' TYR . 44.3 pttt -86.56 -34.77 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.612 ' CE1' ' CE1' ' B' ' 41' ' ' HIS . 55.5 m-85 -118.26 -45.6 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.999 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 49.6 t30 65.57 43.53 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.904 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.507 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -147.97 121.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.34 -44.85 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.06 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.4 ttpm? -59.16 -56.13 26.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 111.226 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.451 ' HB3' ' CE1' ' B' ' 41' ' ' HIS . 55.3 m-20 -61.61 -39.48 91.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.721 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.507 HG13 ' O ' ' B' ' 34' ' ' ILE . 95.9 mt -47.45 -49.14 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 111.225 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.591 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.43 89.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 0.0 111.623 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.612 ' CE1' ' CE1' ' B' ' 32' ' ' TYR . 5.4 m-70 -64.19 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.34 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.435 HG21 ' CE1' ' B' ' 46' ' ' PHE . 63.7 mt -59.01 -36.61 63.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.623 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -60.84 -59.46 5.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.81 -41.3 87.74 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 51.6 mm-40 -54.64 -48.46 72.24 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.435 ' CE1' HG21 ' B' ' 42' ' ' ILE . 7.9 m-85 -72.69 -45.01 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.497 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -32.76 67.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 110.623 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -75.77 -46.11 32.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.1 -59.04 2.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.547 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.0 m-85 -84.51 -13.39 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.547 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 4.8 m120 88.83 141.21 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.388 0 C-N-CA 122.546 0.339 . . . . 0.0 110.134 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.451 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -60.01 172.67 2.2 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.428 2.086 . . . . 0.0 112.736 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 9.9 t -117.18 112.33 20.69 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 122.881 0.472 . . . . 0.0 111.301 0.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.691 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.4 m95 -88.58 122.88 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.033 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' B' ' 85' ' ' LEU . 32.4 m-70 -96.6 140.05 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.2 t -136.69 144.23 43.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.472 0.653 . . . . 0.0 112.501 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.451 HG23 ' CE1' ' B' ' 62' ' ' PHE . 31.3 mm -137.59 141.8 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.587 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 47.2 t -154.59 135.44 4.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.857 0.36 . . . . 0.0 111.457 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.57 -142.74 6.29 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.838 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 63.1 mtm-85 -160.48 28.7 0.16 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.543 0.211 . . . . 0.0 111.46 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 35.0 t30 167.33 82.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 28.3 p90 -165.51 136.88 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -89.59 137.4 14.07 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.8 m -137.42 148.88 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.719 0.759 . . . . 0.0 112.729 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 2.4 t80 -148.23 131.78 16.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.253 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 45.2 t -158.68 165.82 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.12 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 93.1 m -116.39 150.35 37.9 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 25.5 p80 -166.06 142.37 5.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 112.038 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.36 154.56 35.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.791 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 42.5 p -57.77 152.68 15.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.794 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 43.9 mmtm 65.87 38.3 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.214 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 83.2 m-70 -164.82 69.55 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.05 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.491 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 1.9 t80 -165.45 125.35 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.396 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' B' ' 18' ' ' GLN . 13.4 tt -150.81 141.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.2 0.524 . . . . 0.0 111.543 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.431 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 48.9 t80 -147.17 139.14 24.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.65 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 8.4 p90 -167.06 139.07 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.065 0.459 . . . . 0.0 111.756 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 8.1 m-85 -82.58 148.25 28.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.433 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.457 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 57.2 tp -169.92 143.92 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.324 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.83 41.41 83.53 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.566 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' B' ' 80' ' ' GLN . 50.9 tt0 56.24 35.71 26.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.581 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.47 HG11 ' HD3' ' B' ' 60' ' ' ARG . 29.0 m -158.01 132.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -76.58 137.56 39.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.487 HD13 ' N ' ' B' ' 83' ' ' ILE . 4.4 mp -125.09 140.64 47.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.648 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 63.8 tp -132.32 144.36 50.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' B' ' 55' ' ' HIS . 56.7 tp -159.27 138.53 11.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.491 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.6 p90 -177.4 129.74 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.203 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.691 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.7 ptpt -78.98 162.65 25.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.4 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.416 ' O ' HG21 ' B' ' 53' ' ' THR . 51.0 m -143.51 134.38 25.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.94 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.527 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -155.03 135.7 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.517 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -78.74 121.52 24.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.04 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 66' ' ' VAL . 14.5 t -72.41 142.79 48.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.105 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.65 135.11 7.51 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 pt -154.43 170.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 111.577 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.488 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 21.9 pt20 -163.52 69.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.168 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.62 133.03 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.462 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.792 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -130.91 132.4 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.046 0.45 . . . . 0.0 111.444 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.77 58.69 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.067 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 87.4 mt -40.69 -39.36 1.06 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.503 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.15 134.01 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' C' ' 17' ' ' HIS . . . 177.4 -137.87 3.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.05 -48.27 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 110.525 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' C' ' 17' ' ' HIS . 49.6 m -71.45 -31.56 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.98 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' C' ' 14' ' ' GLY . 93.2 m-70 67.85 133.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.836 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.718 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtm . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.88 0.372 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -86.7 131.89 34.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.0 p-10 -81.96 118.22 22.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.472 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.482 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 15.2 t -76.72 140.09 40.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.92 135.73 7.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.546 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.4 pt -156.1 170.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -159.14 74.97 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.577 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.0 t -69.28 144.7 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.417 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.9 p30 -178.93 43.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -67.28 131.28 45.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.059 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.5 48.81 1.68 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.06 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.17 50.1 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.518 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.45 -52.31 27.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.92 0.39 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.35 -141.67 16.41 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.587 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . 0.465 ' NZ ' ' HB2' ' D' ' 15' ' ' LYS . 10.4 mtmp? -72.11 -49.0 39.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.43 . . . . 0.0 110.541 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 95.3 p -67.57 -133.63 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.476 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -172.58 131.25 0.56 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.75 0.31 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.895 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 tpp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.73 0.3 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -176.42 145.06 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.299 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p30 48.25 54.25 10.58 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.203 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -79.71 48.45 0.94 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -67.23 -32.85 74.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.896 0.379 . . . . 0.0 110.961 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . -48.61 124.97 9.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.825 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -88.7 137.92 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.116 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.444 HG12 ' CB ' ' A' ' 11' ' ' ALA . 9.2 tp -84.17 141.65 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.594 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.744 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -117.17 -32.08 5.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.555 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -155.03 59.73 0.66 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.452 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' CB ' HG12 ' A' ' 8' ' ' ILE . . . -56.62 142.15 40.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.356 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -175.47 52.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.652 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 97.4 mtp -156.02 145.19 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.688 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -46.06 147.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.21 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' OE1' ' NE2' ' A' ' 18' ' ' GLN . 5.4 mm-40 -42.72 -39.5 2.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.46 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.5 pt-20 -69.48 -44.42 71.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.022 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.474 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 66.0 mtt -62.05 -47.82 83.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.423 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' NE2' ' OE1' ' A' ' 15' ' ' GLU . 16.9 pt20 -63.86 -38.53 91.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.532 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 19.0 pt20 -71.21 -40.78 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.676 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -37.45 83.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.828 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -67.92 -45.44 74.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.898 0.38 . . . . 0.0 110.264 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.51 -44.98 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.561 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.38 -34.05 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -70.08 -38.65 75.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 109.922 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.6 m -60.92 -45.13 95.88 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.18 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 85.9 mt-30 -59.37 -45.2 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.175 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . . . -54.42 -42.77 70.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.206 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 48.6 mt -61.67 -48.1 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.609 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 10.5 pt-20 -67.42 -28.29 67.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.101 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.677 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.01 -21.16 27.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.677 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 25.9 m-85 -145.51 -45.64 0.21 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.543 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' TYR . 49.6 t30 68.99 45.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 38' ' ' ILE . 54.8 mt -137.16 126.01 35.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.625 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -45.06 -47.56 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.082 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -68.06 -52.84 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 111.253 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.424 ' HB3' ' NE2' ' A' ' 41' ' ' HIS . 1.3 m-20 -56.19 -41.91 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.39 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 34' ' ' ILE . 93.4 mt -50.67 -44.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.98 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.41 83.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.532 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -66.8 -46.17 76.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.675 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.562 ' CE1' ' CE1' ' A' ' 32' ' ' TYR . 7.8 m-70 -63.9 -54.01 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.156 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.433 HG23 ' CE2' ' A' ' 46' ' ' PHE . 60.6 mt -60.41 -46.51 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.108 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' B' ' 65' ' ' TYR . 12.5 tmtt? -56.42 -53.34 58.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.535 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.01 -46.27 91.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 41' ' ' HIS . 51.4 mt-10 -55.95 -46.0 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.683 0.277 . . . . 0.0 111.429 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.519 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 23.1 m-85 -73.42 -44.55 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -57.83 -35.75 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.241 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -82.95 -39.65 21.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 111.187 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -79.54 -64.33 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.5 m-85 -83.27 -18.65 38.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 63.7 m-20 93.62 143.73 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.398 0 C-N-CA 122.74 0.416 . . . . 0.0 110.125 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.432 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.5 Cg_endo -58.41 169.87 2.78 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.595 2.197 . . . . 0.0 112.867 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 14.1 t -115.18 117.41 30.45 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 122.526 0.33 . . . . 0.0 111.21 0.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.603 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 23.3 m95 -95.28 131.1 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.385 0.612 . . . . 0.0 111.95 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 31.6 m-70 -110.83 138.99 46.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.091 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 52.4 t -139.01 153.39 48.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.559 0.695 . . . . 0.0 112.639 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.422 HD11 HG22 ' A' ' 57' ' ' ILE . 58.9 mt -149.89 146.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.559 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -154.65 136.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.45 . . . . 0.0 111.112 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.36 -135.24 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -174.19 35.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.561 0.22 . . . . 0.0 111.356 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 165.46 81.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.818 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.476 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 18.4 p90 -166.18 139.05 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.21 146.48 18.21 Favored Glycine 0 C--N 1.33 0.215 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.5 t -159.68 154.26 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' B' ' 36' ' ' LYS . 17.0 m-85 -135.57 139.79 44.16 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 114.303 -1.317 . . . . 0.0 109.752 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 21.7 t -157.73 159.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.019 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.41 ' H ' HG13 ' A' ' 66' ' ' VAL . 92.7 m -119.47 144.51 46.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -160.95 145.55 13.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.389 . . . . 0.0 111.727 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.4 pt-20 -61.99 154.44 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.452 ' CG2' ' HE2' ' C' ' 2' ' ' LYS . 74.3 p -56.25 147.75 20.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.884 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 60.09 37.31 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.998 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 53.6 m80 -150.25 54.77 0.92 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.637 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 8.7 t80 -165.36 140.36 5.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.312 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 tt -155.93 133.72 2.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -137.81 133.94 34.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.563 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 7.4 p90 -165.62 143.99 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.455 ' CE2' ' CZ ' ' C' ' 10' ' ' ARG . 62.6 m-85 -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.826 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 27.3 tp -156.33 134.78 11.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.438 . . . . 0.0 111.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 67.15 -66.64 0.22 Allowed Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 39.1 tt0 178.9 37.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 32.5 m -160.41 137.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.995 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -72.26 136.43 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.06 135.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.5 tp -131.42 142.25 49.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.421 HD23 ' CE2' ' A' ' 46' ' ' PHE . 56.6 tp -160.1 143.46 13.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.637 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 21.2 p90 -179.57 131.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.603 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -95.89 149.29 21.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.41 ' O ' HG21 ' A' ' 53' ' ' THR . 47.5 t -117.99 133.81 55.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.668 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.505 -179.836 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 83.3 m 62.72 134.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.65 137.77 58.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.505 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 5.4 tmm_? -176.64 130.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.467 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 13.7 tppt? -166.33 -126.46 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.155 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . 62.3 132.27 0.01 OUTLIER 'General case' 0 C--O 1.23 0.047 0 CA-C-N 117.967 0.349 . . . . 0.0 110.98 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 33.3 m -87.79 134.96 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.995 0.426 . . . . 0.0 111.519 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.483 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.7 mp -91.03 144.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -139.55 -42.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.495 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 4.5 m120 -115.62 51.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.73 132.53 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.654 0.264 . . . . 0.0 110.564 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.455 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 2.2 m-20 -153.0 53.08 0.76 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.415 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.406 ' HG3' ' HG3' ' B' ' 18' ' ' GLN . 20.5 ptp -176.54 -174.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.9 m -65.08 143.14 58.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.453 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -51.95 -40.68 61.22 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.7 pt-20 -59.51 -43.25 93.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.768 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 76.7 mtp -65.29 -42.88 92.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.406 ' HG3' ' HG3' ' B' ' 13' ' ' MET . 54.5 mt-30 -66.93 -44.21 81.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.4 pt20 -69.3 -33.83 73.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.52 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.2 t0 -66.5 -40.37 89.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.507 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -68.42 -41.99 79.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.908 0.385 . . . . 0.0 110.127 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -65.92 -45.45 91.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.73 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -67.87 -43.6 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.029 0.442 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.34 -39.88 88.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.35 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.53 80.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.277 0.561 . . . . 0.0 109.548 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.0 m -59.87 -44.26 94.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.298 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -59.68 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.178 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.74 -40.73 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.455 ' HA ' ' HA ' ' B' ' 33' ' ' ASN . 64.1 mt -64.07 -49.6 71.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.28 -32.17 69.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.0 mttt -80.77 -25.13 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.613 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 44.8 m-85 -145.04 -43.98 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.438 -0.505 . . . . 0.0 112.258 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 23.7 t-20 70.48 54.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.5 ' O ' HG13 ' B' ' 38' ' ' ILE . 41.6 mm -145.79 124.96 5.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -49.63 -47.46 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.593 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 36.7 ttpt -59.71 -58.63 7.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -53.0 -42.8 65.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.5 HG13 ' O ' ' B' ' 34' ' ' ILE . 96.7 mt -51.71 -46.36 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.389 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.414 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -62.35 -41.21 98.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.812 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -45.85 90.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.573 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 64.2 m-70 -66.68 -51.32 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.713 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.425 ' CG2' HD23 ' B' ' 85' ' ' LEU . 50.1 mt -64.79 -43.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 111.258 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.47 -57.89 10.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.762 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' B' ' 44' ' ' LYS . 10.5 mtmp? -58.08 -44.27 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 39.3 tt0 -57.29 -45.28 84.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -72.66 -39.31 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.32 . . . . 0.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 64.7 m-20 -61.15 -40.41 93.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -72.17 -39.6 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.103 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 94.4 mttt -84.29 -70.19 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 7.7 m-30 -73.96 -21.14 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.9 t30 96.56 141.82 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.568 0 C-N-CA 122.672 0.389 . . . . 0.0 110.347 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.424 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 50.5 Cg_exo -56.52 171.28 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.411 2.074 . . . . 0.0 112.75 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 9.1 t -118.55 106.08 12.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.38 0.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.758 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.2 m95 -84.56 122.26 28.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.345 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.419 ' CE1' HG22 ' B' ' 53' ' ' THR . 30.5 m-70 -99.06 136.31 39.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.942 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.0 t -132.26 150.11 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 0.0 112.065 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.506 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 36.6 mt -147.92 142.0 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.224 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -149.02 132.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.97 -134.86 2.42 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 28.0 ttm180 -173.95 39.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.605 0.241 . . . . 0.0 111.028 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.55 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 166.37 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.5 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.506 ' CE2' ' CG2' ' B' ' 57' ' ' ILE . 32.4 p90 -173.24 132.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.63 135.35 13.7 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.417 ' HB2' HD11 ' D' ' 6' ' ' ILE . 47.1 m -128.32 141.41 51.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.49 0.645 . . . . 0.0 112.621 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 43' ' ' LYS . 4.2 t80 -144.1 125.75 15.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.719 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 22.6 t -157.21 170.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.192 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.62 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.6 m -116.0 147.38 41.27 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.422 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.9 p80 -161.86 141.0 9.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.408 . . . . 0.0 111.629 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.408 ' OE2' ' CE1' ' B' ' 72' ' ' HIS . 12.6 pt-20 -66.44 154.75 39.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.243 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -57.23 150.57 17.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.9 mmpt? 65.9 34.73 7.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.408 ' CE1' ' OE2' ' B' ' 69' ' ' GLU . 62.5 m80 -158.71 69.29 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.572 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 32.5 t80 -169.6 137.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.405 HD11 HG22 ' B' ' 74' ' ' ILE . 10.8 tt -156.42 142.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.212 0.53 . . . . 0.0 111.876 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.495 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 41.0 t80 -142.16 139.59 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.391 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.8 p90 -170.03 140.71 2.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 112.166 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.422 ' HB2' ' CG2' ' B' ' 7' ' ' VAL . 60.5 m-85 -80.59 149.64 29.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.317 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.473 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 53.1 tp -169.96 139.96 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.16 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.86 39.95 70.22 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 56.7 37.36 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 35.3 m -156.81 135.79 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.011 0.434 . . . . 0.0 110.853 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.74 135.91 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.581 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 55.2 mt -125.09 140.01 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.399 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 57.3 tp -140.91 145.34 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.425 HD23 ' CG2' ' B' ' 42' ' ' ILE . 50.9 tp -158.49 143.17 16.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.062 0.458 . . . . 0.0 111.429 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.572 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 12.8 p90 -179.21 134.57 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.758 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -83.06 170.0 15.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.045 0.45 . . . . 0.0 111.604 -179.244 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.6 t -146.35 135.04 22.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.985 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.522 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 81.5 mtp . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' C' ' 2' ' ' LYS . 0.0 OUTLIER -72.75 129.36 38.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.506 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -75.69 109.75 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.239 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 12.1 t -73.27 136.29 44.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.18 134.29 7.65 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.248 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 pt -151.1 170.05 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.955 0.407 . . . . 0.0 111.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.486 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.9 pt20 -160.03 69.79 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.809 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' PHE . 47.3 t -69.43 136.82 25.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.824 0.345 . . . . 0.0 110.982 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.804 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.455 ' CZ ' ' CE2' ' A' ' 77' ' ' TYR . 15.7 ptp180 -92.28 137.37 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . 0.585 ' C ' ' H ' ' C' ' 13' ' ' ASP . 1.5 m-20 -81.06 46.34 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.597 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 84.0 mt 68.06 -32.27 0.2 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.097 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' C' ' 11' ' ' ASP . 1.5 m-20 69.13 -57.24 0.53 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.554 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.84 -47.88 3.62 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.838 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -170.8 -47.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.621 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -66.82 137.59 56.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.626 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -70.75 54.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.523 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.393 179.812 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.878 0.371 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -153.81 137.18 15.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.62 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.2 p-10 -69.96 126.94 31.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.967 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.477 ' N ' ' O ' ' B' ' 66' ' ' VAL . 12.8 t -75.41 144.42 42.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.432 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -146.21 123.86 1.92 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.366 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.7 pp -160.37 145.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.31 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 22.4 pt20 -123.57 100.51 6.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.102 0.477 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 52.1 t -78.41 137.57 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -173.79 46.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.011 0.434 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' D' ' 10' ' ' ARG . 4.3 mmp_? -57.93 131.97 52.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -84.48 45.22 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -91.61 39.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -70.49 130.8 42.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.12 -50.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.821 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.02 -60.15 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 111.124 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 76.4 p 176.45 135.21 0.06 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 37.4 m170 57.78 46.13 17.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.734 0.302 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.1 m -153.9 131.95 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.726 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -179.21 44.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -178.05 124.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' HG3' ' CG1' ' A' ' 7' ' ' VAL . 22.3 tptm -78.48 -61.35 2.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.973 0.416 . . . . 0.0 111.026 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.34 52.98 9.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.978 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 8.5 m -85.63 137.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 112.007 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.463 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -80.53 136.96 22.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.454 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -115.72 -32.49 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -155.47 52.8 0.6 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.86 0.362 . . . . 0.0 111.463 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 8' ' ' ILE . . . -55.71 146.52 20.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 9.2 t70 -167.61 71.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.407 . . . . 0.0 111.147 -179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.415 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 60.2 mtt -157.16 -166.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.3 p -88.31 38.52 0.86 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 65.51 -58.83 0.29 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.99 -38.83 80.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.278 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.415 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 60.4 mtt -60.13 -51.46 69.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' HA ' HD12 ' A' ' 74' ' ' ILE . 14.3 pt20 -60.56 -39.76 89.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -64.33 -42.09 96.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.979 0.418 . . . . 0.0 110.244 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.407 ' OD1' ' CZ ' ' A' ' 46' ' ' PHE . 7.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.575 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.2 m -67.71 -43.99 78.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.086 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.74 -46.68 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.372 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.0 -42.29 85.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.72 -37.95 87.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.865 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.64 84.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.336 0.588 . . . . 0.0 109.429 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.2 m -60.38 -43.66 96.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.067 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -58.89 -45.97 88.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.117 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . . . -54.17 -44.09 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.963 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 33' ' ' ASN . 59.0 mt -60.51 -48.41 81.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.32 -33.51 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.312 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 57.3 mtpt -77.38 -31.76 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.42 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.545 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 4.2 m-85 -138.79 -49.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.951 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 32' ' ' TYR . 50.2 t30 78.57 45.37 0.06 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.415 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 38' ' ' ILE . 2.4 mp -135.59 130.07 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.122 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.18 -46.76 62.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.926 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -65.89 -53.91 33.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.846 0.355 . . . . 0.0 111.499 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' OD2' ' HB ' ' A' ' 34' ' ' ILE . 59.6 m-20 -54.58 -42.04 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.503 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 34' ' ' ILE . 89.8 mt -52.46 -42.69 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.056 0.455 . . . . 0.0 110.481 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.93 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.253 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.12 -47.03 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 32' ' ' TYR . 26.7 m-70 -60.9 -51.58 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 111.506 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 63.9 mt -60.88 -43.51 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HD3' ' CE1' ' B' ' 65' ' ' TYR . 62.3 tttm -57.85 -51.63 68.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.6 -47.63 84.83 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 67.9 mm-40 -56.31 -47.85 77.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 111.533 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CZ ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-85 -71.42 -40.31 70.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.633 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 53.0 m-20 -57.89 -36.01 71.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.023 0.439 . . . . 0.0 110.579 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.77 -39.6 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.488 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 28.0 mtpp -81.32 -61.22 2.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.524 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 5.3 m-85 -85.96 -21.25 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 26.7 t-20 95.18 137.83 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.75 0.42 . . . . 0.0 110.217 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 11.9 Cg_endo -54.95 169.71 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.632 2.221 . . . . 0.0 112.513 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.9 t -116.12 116.62 28.18 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 122.962 0.505 . . . . 0.0 111.219 0.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.715 ' CG ' ' HB3' ' A' ' 87' ' ' LYS . 22.0 m95 -93.13 129.96 38.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.441 ' HD1' HG11 ' B' ' 66' ' ' VAL . 38.9 m-70 -98.16 135.93 39.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.235 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 78.7 m -123.98 147.82 47.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.297 0.57 . . . . 0.0 112.304 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.431 HD12 HG21 ' A' ' 57' ' ' ILE . 57.9 mt -151.27 143.54 16.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.298 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -156.8 135.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.43 -137.07 2.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.692 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 7.3 ptm180 -179.01 41.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.191 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.458 ' HA ' ' O ' ' C' ' 8' ' ' VAL . 9.4 m-20 162.12 82.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.064 0.545 . . . . 0.0 109.817 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.528 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 14.7 p90 -173.07 137.14 0.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.552 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -100.57 139.64 14.5 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.7 m -157.31 149.59 22.82 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.43 ' HB3' ' CD ' ' B' ' 43' ' ' LYS . 19.4 m-85 -124.61 140.56 52.82 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.14 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 27.9 t -156.87 162.46 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 CA-C-O 120.527 0.203 . . . . 0.0 111.381 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.4 m -115.83 155.89 27.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 73' ' ' PHE . 23.7 p80 -166.95 140.35 3.7 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.819 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 25.0 pt-20 -64.28 150.26 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.626 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -56.78 150.96 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.425 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 34.6 mmtp 64.26 37.19 8.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.788 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 84.2 m-70 -164.43 54.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.709 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.533 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 34.7 t80 -152.61 141.33 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.953 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 18' ' ' GLN . 6.5 tt -165.01 145.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.312 0.577 . . . . 0.0 111.962 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -148.97 135.07 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.815 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.1 p90 -166.93 135.89 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.448 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 57.1 m-85 -74.54 143.7 44.38 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.552 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.411 HD23 ' N ' ' A' ' 79' ' ' GLY . 6.0 tt -169.25 142.42 2.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 110.989 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.411 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 56.52 41.07 88.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.431 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 55.61 35.43 25.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 m -158.33 135.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.78 135.57 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.268 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.437 HD12 HG22 ' A' ' 83' ' ' ILE . 58.4 mt -121.02 137.89 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.9 tp -139.95 140.7 36.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.2 tp -154.22 145.48 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.533 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 11.7 p90 178.75 132.62 0.08 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.715 ' HB3' ' CG ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -102.28 170.35 8.13 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.561 ' HB3' ' HG2' ' A' ' 69' ' ' GLU . 35.7 t 54.61 45.69 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.07 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.567 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 120.813 0.34 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 54.1 t -60.41 133.24 55.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.86 132.0 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.44 ' NE ' ' O ' ' B' ' 4' ' ' ARG . 1.5 tmm_? 57.93 54.66 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.371 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -66.06 -132.15 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.055 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' B' ' 78' ' ' LEU . . . 61.03 132.24 0.01 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 0.0 111.57 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 29.3 m -99.94 138.88 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.736 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.6 mp -81.2 155.27 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.838 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.404 ' HB2' ' CD2' ' B' ' 75' ' ' TYR . 31.8 mmmt -142.28 -39.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -147.12 49.79 1.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.015 0.436 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.65 145.8 38.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.405 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.436 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 63.7 t0 -161.05 56.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 110.459 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.525 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 61.7 mtt -160.51 157.24 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.74 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.2 m -56.13 148.81 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.334 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.79 -41.37 4.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.818 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.88 -39.41 93.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.525 ' HB2' ' HB3' ' B' ' 13' ' ' MET . 67.4 mtt -67.44 -47.73 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' B' ' 13' ' ' MET . 42.4 mt-30 -64.93 -42.73 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.174 0.511 . . . . 0.0 110.137 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.59 -41.34 84.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.432 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 38.2 t70 -68.93 -36.53 78.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.414 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -68.03 -44.32 76.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.998 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.41 ' CG1' ' CD ' ' B' ' 4' ' ' ARG . 60.5 t -64.65 -45.96 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.6 -43.3 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.44 -37.41 87.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.1 80.5 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -60.47 -42.97 97.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.212 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.434 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 40.0 tt0 -59.46 -44.95 92.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.354 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.51 -42.37 78.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.782 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.421 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 54.1 mt -61.27 -48.83 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.497 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.36 -32.09 72.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.598 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.477 ' HB3' ' NZ ' ' B' ' 31' ' ' LYS . 9.5 mtpm? -81.64 -26.11 35.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.844 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.535 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 54.3 m-85 -145.32 -45.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.283 -0.567 . . . . 0.0 112.384 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.5 t30 69.16 51.54 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.961 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.538 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.5 mt -136.96 129.64 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.712 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -51.79 -52.03 51.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.172 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.36 -56.01 19.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 0.0 111.755 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.6 -45.83 70.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.15 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.538 HG13 ' O ' ' B' ' 34' ' ' ILE . 93.7 mt -49.58 -44.46 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.79 0.328 . . . . 0.0 111.419 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.29 81.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.484 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.423 ' CB ' ' CE2' ' A' ' 65' ' ' TYR . . . -64.37 -47.15 80.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.835 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 19.6 m-70 -62.81 -50.29 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.356 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 56.8 mt -68.22 -40.03 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.755 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.43 ' CD ' ' HB3' ' A' ' 65' ' ' TYR . 60.2 tttm -60.32 -58.48 8.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -68.72 -39.24 80.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.827 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.02 -53.64 47.17 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.464 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.5 m-85 -71.37 -44.03 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.476 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.9 t0 -54.56 -37.34 65.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.448 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -76.66 -49.65 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.788 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -74.39 -70.24 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.264 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.552 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.7 m-30 -68.14 -17.33 64.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.023 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.552 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 3.8 m120 94.24 146.4 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.441 0 C-N-CA 122.837 0.455 . . . . 0.0 110.417 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.425 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 29.0 Cg_endo -62.9 167.75 11.59 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.445 2.097 . . . . 0.0 112.52 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 9.8 t -112.86 133.21 54.95 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.776 0.43 . . . . 0.0 110.474 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.533 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 33.8 m95 -109.09 135.9 49.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.447 0.642 . . . . 0.0 112.627 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.483 ' HB2' ' CZ ' ' B' ' 86' ' ' PHE . 13.7 m-70 -115.43 137.37 52.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.604 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.8 t -136.81 154.34 50.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.46 0.648 . . . . 0.0 112.58 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.432 HG23 ' CZ ' ' B' ' 62' ' ' PHE . 54.3 mt -148.98 142.51 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.809 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -151.26 132.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 111.162 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.42 -131.48 2.14 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.284 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 38.6 ptt85 -177.02 37.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 14.1 t-20 177.39 76.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.528 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 10.1 p90 -162.89 138.5 6.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.524 0.678 . . . . 0.0 112.398 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.453 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -115.36 137.0 13.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 61.2 m -154.27 148.8 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.461 ' CE1' ' HD3' ' A' ' 43' ' ' LYS . 2.7 t80 -120.17 132.64 55.46 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.242 -1.345 . . . . 0.0 107.782 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.441 HG11 ' HD1' ' A' ' 55' ' ' HIS . 20.1 t -154.35 167.19 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 91.1 m -124.04 143.79 50.23 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -159.39 146.43 16.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 112.122 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.408 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 16.7 tp10 -58.29 151.97 18.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.193 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 44.7 p -53.12 146.25 11.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.179 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' B' ' 71' ' ' LYS . 11.8 mptt 61.03 17.58 8.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.111 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.458 ' CE1' ' HE3' ' B' ' 87' ' ' LYS . 33.7 m170 -122.13 68.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.488 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 9.3 t80 179.41 146.43 0.2 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.935 0.397 . . . . 0.0 111.429 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.486 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 10.9 tt -162.48 133.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.404 ' CD2' ' HB2' ' B' ' 9' ' ' LYS . 37.2 t80 -130.02 132.22 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.575 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' B' ' 76' ' ' PHE . 1.1 p90 -166.57 134.67 2.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -73.1 147.25 45.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.872 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.423 ' HB2' ' HB1' ' B' ' 6' ' ' ALA . 52.0 tp -170.44 140.4 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.32 41.74 80.63 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.577 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 54.78 36.54 26.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 26.8 m -157.37 133.51 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.788 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 125.62 27.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.508 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' B' ' 78' ' ' LEU . 54.2 mt -105.71 143.8 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.503 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 65.6 tp -143.63 143.27 31.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.912 0.387 . . . . 0.0 111.19 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 56.1 tp -157.11 141.47 16.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.296 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.488 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 8.7 p90 -173.63 129.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.533 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 56.1 pttt -100.87 170.46 8.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.099 0.476 . . . . 0.0 111.416 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -145.33 140.51 27.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.961 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.524 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.692 0.282 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -159.64 150.51 19.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 47.5 p-10 -74.15 124.03 25.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.562 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' VAL . 11.9 t -76.46 132.8 39.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.445 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.401 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -124.87 124.0 5.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.612 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.1 pp -161.94 155.36 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.552 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 27.3 pt20 -146.54 117.71 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.359 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 40.2 t -81.31 138.65 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.895 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -70.93 129.03 37.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.727 0.299 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.94 56.36 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.753 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.82 -24.98 66.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.025 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.66 132.73 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.84 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.34 -56.57 21.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.467 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -77.66 131.53 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.655 0.264 . . . . 0.0 110.655 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m 56.95 48.99 14.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.639 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -53.14 136.2 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.408 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.877 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.622 0.249 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' D' ' 2' ' ' LYS . 8.3 mtpm? -152.04 134.6 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.16 0.505 . . . . 0.0 111.305 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 38.3 p30 -75.66 120.14 20.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.867 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.435 ' OG1' ' CE2' ' B' ' 73' ' ' PHE . 15.4 t -89.24 149.58 23.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.22 129.05 2.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.935 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' D' ' 6' ' ' ILE . 2.3 pp -160.49 143.84 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.164 0.507 . . . . 0.0 112.313 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.453 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.2 pt20 -119.96 84.87 2.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.553 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.418 HG21 ' CE1' ' B' ' 62' ' ' PHE . 47.2 t -69.41 143.55 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -163.48 130.93 3.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.417 ' HD2' HD13 ' D' ' 12' ' ' LEU . 13.1 tpt180 -64.58 134.54 54.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -177.61 42.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.324 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' D' ' 12' ' ' LEU . 5.0 mp -90.16 41.07 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.976 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -71.72 138.84 48.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.68 65.45 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.225 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -158.1 136.55 11.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.574 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.1 t 63.9 133.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -60.57 137.44 58.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.911 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 120.817 0.341 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.52 133.49 56.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -62.42 138.46 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -75.85 51.37 0.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' ALA . 17.0 tppt? -73.33 -76.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.724 0.297 . . . . 0.0 111.282 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 5' ' ' LYS . . . 59.06 125.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.9 m -82.23 136.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.143 0.497 . . . . 0.0 111.938 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -90.19 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.683 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -136.39 -43.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.57 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.447 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 4.1 m120 -123.44 46.29 2.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.77 0.319 . . . . 0.0 111.568 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.08 141.44 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.745 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -169.64 54.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.757 0.313 . . . . 0.0 111.606 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.5 ptp -171.42 -175.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 111.223 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.7 m -55.27 151.21 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.403 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 8.7 mp0 -65.0 -43.98 90.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.314 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.57 -42.4 98.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.94 -51.15 71.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 111.182 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 14.1 pt20 -60.64 -39.86 89.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.28 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -67.25 -41.22 85.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.862 0.363 . . . . 0.0 110.804 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -64.78 -39.88 94.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.63 -44.55 81.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.87 0.367 . . . . 0.0 110.253 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG23 ' CE2' ' A' ' 76' ' ' PHE . 60.5 t -64.6 -44.43 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.8 -46.43 78.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.529 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -65.91 -31.25 72.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -70.48 -39.88 73.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.176 0.513 . . . . 0.0 109.781 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.415 ' CB ' ' HG3' ' A' ' 4' ' ' ARG . 89.4 m -59.75 -49.58 77.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.378 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.541 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 71.8 mt-30 -57.93 -47.06 84.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 38' ' ' ILE . . . -45.69 -43.42 12.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.745 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.4 -46.9 86.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.119 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.025 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 60.5 mmtt -80.37 -36.71 33.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.579 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -134.56 -40.71 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 67.69 46.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.993 0.425 . . . . 0.0 110.345 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 38' ' ' ILE . 47.3 mm -148.09 124.28 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.725 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -48.28 -44.98 34.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.907 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -62.43 -58.24 8.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.647 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.65 -47.02 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.73 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 34' ' ' ILE . 66.7 mt -54.57 -52.07 44.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.14 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.916 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.97 -55.98 10.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -65.06 -48.7 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 -178.707 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.479 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 52.3 mt -58.04 -42.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.654 0.264 . . . . 0.0 111.105 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -60.22 -46.29 90.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.662 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 60.8 mttp -68.22 -48.59 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.9 mt-10 -56.19 -46.74 79.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.685 0.278 . . . . 0.0 111.634 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.435 ' CE1' HG21 ' A' ' 42' ' ' ILE . 11.0 m-85 -66.75 -42.85 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.662 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.0 p30 -66.74 -29.96 70.06 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -75.55 -43.47 48.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.2 mtpt -78.59 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 2.7 m-85 -85.29 -15.22 44.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.385 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.516 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 94.07 139.84 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.551 0 O-C-N 123.46 0.475 . . . . 0.0 110.185 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 38.7 Cg_exo -60.36 166.97 8.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.464 2.109 . . . . 0.0 112.737 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.523 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.8 t -115.48 133.51 55.96 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.912 0.485 . . . . 0.0 110.881 0.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 32.0 m95 -102.75 132.33 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.5 m-70 -103.34 129.01 50.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.0 t -131.59 144.56 51.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.316 0.579 . . . . 0.0 112.151 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 48.2 mt -150.53 138.84 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.005 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -149.8 136.56 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.181 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.73 -133.34 2.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.544 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.553 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 55.0 ttp180 -175.14 44.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 161.27 84.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.506 ' HB3' ' CD2' ' B' ' 62' ' ' PHE . 2.8 p90 -170.03 137.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -111.66 134.36 12.05 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 177.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.457 ' HB2' HG12 ' B' ' 57' ' ' ILE . 62.9 p -155.6 153.54 30.28 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' B' ' 40' ' ' ALA . 22.5 m-85 -124.25 142.09 51.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.63 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 20.3 t -157.63 162.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.2 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 66' ' ' VAL . 92.0 m -115.54 153.75 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.471 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 23.8 p80 -167.6 150.09 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.62 139.27 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.999 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.8 p -56.47 148.36 19.49 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.462 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 66.48 36.38 5.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -157.92 56.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.036 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.516 ' HA ' ' CB ' ' A' ' 86' ' ' PHE . 28.2 t80 -152.95 138.7 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.092 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.418 ' CD1' ' CB ' ' A' ' 18' ' ' GLN . 9.8 tt -161.73 142.13 3.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.219 0.533 . . . . 0.0 112.008 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.433 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 2.7 t80 -141.95 137.35 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.982 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 8.6 p90 -166.54 141.46 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.473 . . . . 0.0 112.077 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -86.93 152.95 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.826 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 80' ' ' GLN . 63.9 tp -160.86 138.38 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 0.0 111.861 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.32 -67.02 0.24 Allowed Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.976 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 39.2 tt0 179.82 36.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 30.8 m -159.79 135.9 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.39 130.24 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.452 HG21 HD12 ' A' ' 83' ' ' ILE . 56.3 mt -113.18 141.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.5 tp -138.1 141.32 40.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.2 tp -158.46 135.29 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CB ' ' HA ' ' A' ' 73' ' ' PHE . 2.5 p90 -173.59 127.73 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -96.38 170.41 9.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.185 0.517 . . . . 0.0 111.799 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -147.32 129.97 16.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.724 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.54 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 26.7 p -61.45 -42.89 99.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 36.8 t70 62.83 132.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.56 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 3.4 tmm_? -178.5 130.29 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.211 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.56 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.4 mmtt -148.46 -139.86 0.1 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.251 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.437 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . 63.85 124.98 0.02 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.725 0.298 . . . . 0.0 111.233 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.463 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 28.1 m -90.11 136.36 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.6 mp -81.34 126.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -102.6 -34.59 9.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.472 ' OD1' ' HB3' ' B' ' 75' ' ' TYR . 19.4 p30 -165.95 55.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.045 0.45 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.43 147.79 43.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.63 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -158.27 70.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.181 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.411 ' HG2' ' N ' ' B' ' 14' ' ' SER . 53.6 ttm -174.55 161.92 3.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.53 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 57.9 m -45.31 140.14 3.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.438 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.1 mt-10 -49.56 -49.73 45.12 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.074 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.89 -41.35 99.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 86.8 mtp -64.97 -47.98 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 18.5 pt20 -67.0 -39.43 87.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.342 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -67.83 -38.96 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.681 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -68.81 -36.78 78.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.9 t -67.48 -41.98 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.038 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.42 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 61.1 t -64.49 -48.86 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.498 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.0 -42.4 89.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.836 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.65 -33.91 73.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.547 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.78 -39.67 76.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.218 0.533 . . . . 0.0 109.907 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -59.49 -46.11 89.75 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.082 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -60.89 -37.89 83.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.679 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.408 ' HB3' HG12 ' B' ' 38' ' ' ILE . . . -54.78 -47.79 73.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.853 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 33' ' ' ASN . 62.8 mt -61.36 -46.54 89.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.63 -32.5 73.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -83.97 -41.57 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.901 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.451 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 4.8 m-85 -119.23 -46.53 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 22.1 t-20 68.0 46.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.548 ' O ' HG13 ' B' ' 38' ' ' ILE . 45.1 mm -150.41 127.02 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.69 -46.17 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.973 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.74 -57.56 8.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.961 0.41 . . . . 0.0 111.316 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.451 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 57.9 m-20 -53.15 -45.18 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.957 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.548 HG13 ' O ' ' B' ' 34' ' ' ILE . 98.3 mt -48.64 -53.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' B' ' 43' ' ' LYS . . . -65.26 -24.49 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.99 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.424 ' HB3' ' CE2' ' A' ' 65' ' ' TYR . . . -68.57 -62.89 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -64.76 -46.29 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.482 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.507 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 75.4 mt -59.53 -45.68 93.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.513 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 6.5 ttpm? -56.81 -49.6 74.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.059 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.22 -41.38 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.395 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -55.94 -52.72 63.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.112 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -71.01 -42.53 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.949 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' B' ' 52' ' ' PRO . 61.3 t0 -57.02 -40.87 77.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -79.07 -44.75 21.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.224 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.53 -63.21 1.29 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 2.7 m-85 -79.61 -14.64 58.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.256 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.24 145.42 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 122.785 0.434 . . . . 0.0 110.249 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.433 ' HB3' ' OD1' ' B' ' 47' ' ' ASP . 19.5 Cg_endo -62.44 169.84 7.59 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.192 1.928 . . . . 0.0 112.539 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.443 HG23 ' CE1' ' B' ' 55' ' ' HIS . 11.5 t -117.89 113.02 21.12 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.94 0.496 . . . . 0.0 110.983 0.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.662 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.2 m95 -89.85 125.59 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.354 0.597 . . . . 0.0 112.244 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.476 ' ND1' HG12 ' A' ' 66' ' ' VAL . 45.8 m-70 -101.23 132.12 46.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.828 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.7 t -128.02 150.04 50.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 112.068 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.469 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 37.9 mt -147.25 142.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.056 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 51.3 t -156.03 136.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.47 -136.62 2.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 15.6 ptp180 -170.34 32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.598 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.561 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 162.86 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.506 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 22.5 p90 -169.86 139.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.67 136.93 13.43 Favored Glycine 0 C--N 1.329 0.156 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t -140.68 146.52 37.94 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' D' ' 4' ' ' THR . 12.0 m-85 -138.69 135.5 34.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.665 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 38.9 t -157.53 169.3 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.417 ' N ' ' CG1' ' B' ' 66' ' ' VAL . 91.8 m -121.11 144.88 48.33 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -160.96 143.52 12.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.006 0.432 . . . . 0.0 111.886 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.25 152.67 43.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 38.8 p -58.7 151.97 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.184 0.516 . . . . 0.0 111.795 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.479 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 44.2 mmtm 63.6 38.53 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.147 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.8 m-70 -164.74 69.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.962 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.659 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.4 t80 -173.58 140.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 tt -160.4 143.91 4.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.921 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.472 ' HB3' ' OD1' ' B' ' 10' ' ' ASN . 44.5 t80 -141.66 140.39 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.394 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.463 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.2 p90 -165.75 141.02 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.06 0.457 . . . . 0.0 111.651 -178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -87.07 143.77 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 53.0 tp -169.82 145.23 2.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.493 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.53 40.99 88.34 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.414 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 53.86 35.72 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.718 0.294 . . . . 0.0 110.654 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 27.8 m -157.99 132.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -69.86 143.42 52.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.1 mt -131.03 134.53 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.606 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 54.1 tp -136.78 146.83 46.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 57.8 tp -161.35 142.96 11.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.659 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 11.5 p90 -179.02 132.88 0.12 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.359 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.662 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -86.11 153.14 22.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 111.815 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -126.02 123.17 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.783 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.448 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.819 0.342 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 34.4 mmtp -70.89 132.91 45.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 t70 -85.99 109.48 18.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.158 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 15.0 t -77.6 144.58 37.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.411 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -148.6 125.99 2.18 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.613 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.411 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.3 pp -162.24 151.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 112.143 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.567 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 17.6 pt20 -138.38 118.55 13.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.683 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 43.4 t -93.29 138.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.795 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -62.01 130.38 45.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -87.67 45.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.232 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.52 55.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 111.052 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -168.86 138.01 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.756 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.59 136.72 46.76 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.685 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 63.3 135.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.946 0.403 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -59.55 136.89 58.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -176.5 -46.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.955 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 83.4 mtp . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.804 0.335 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -173.17 139.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.583 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 -74.74 121.75 22.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.559 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 66' ' ' VAL . 9.1 t -74.53 148.33 41.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.246 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.94 127.03 2.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.919 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' D' ' 6' ' ' ILE . 2.6 pp -158.77 138.28 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 111.705 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.43 ' HG2' ' OD1' ' D' ' 9' ' ' ASP . 51.9 tt0 -112.47 89.67 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.333 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.57 138.44 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.448 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.43 ' OD1' ' HG2' ' D' ' 7' ' ' GLN . 2.3 m-20 -154.89 125.13 6.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.42 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -77.69 134.34 38.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.702 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -177.54 45.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' D' ' 12' ' ' LEU . 5.2 mp -75.26 53.53 0.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.307 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -177.67 134.07 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.86 -46.89 93.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.397 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -178.46 131.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.71 0.291 . . . . 0.0 110.78 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -179.62 -42.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.736 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . 0.425 ' CE1' ' HG3' ' D' ' 18' ' ' LYS . 16.5 p80 -177.8 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' D' ' 17' ' ' HIS . 59.7 mttp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.779 0.323 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -178.35 -44.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -60.8 135.92 57.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 10.1 mpt_? -64.49 143.81 57.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HD3' ' H ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -90.24 31.76 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.091 0.472 . . . . 0.0 111.332 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . -70.02 66.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.714 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 35.4 m -75.38 135.91 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.127 0.489 . . . . 0.0 112.11 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -79.32 151.63 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.391 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -136.53 -41.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.342 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -138.68 48.19 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.749 0.309 . . . . 0.0 111.438 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.45 138.76 58.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -158.76 59.07 0.43 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.415 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.8 ptm -167.32 -172.63 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.276 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 33.2 t -60.93 135.35 57.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -54.84 -45.71 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.772 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.51 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.132 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.6 mtt -60.11 -45.18 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' HG2' HD11 ' A' ' 74' ' ' ILE . 63.7 mt-30 -58.06 -42.54 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.822 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -59.55 -45.37 92.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.66 -39.87 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -65.16 -42.87 93.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.991 0.425 . . . . 0.0 110.234 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.8 t -63.45 -46.59 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.538 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.72 -46.82 77.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.321 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -65.29 -31.61 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.229 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -71.53 -41.28 69.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.209 0.528 . . . . 0.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -62.03 -47.13 86.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.302 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 74.0 mt-30 -60.93 -36.59 79.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.859 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.493 ' HB1' HG12 ' A' ' 38' ' ' ILE . . . -57.92 -46.63 84.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.335 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.69 -46.46 85.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 111.551 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 16.0 pt-20 -71.65 -30.81 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.31 -33.1 24.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.855 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.458 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -124.8 -44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.907 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 65.35 45.03 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.995 0.426 . . . . 0.0 110.565 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.581 ' O ' HG13 ' A' ' 38' ' ' ILE . 58.1 mt -149.46 122.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.319 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -43.35 -49.53 6.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.875 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -61.62 -56.91 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.876 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -50.53 -42.03 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.352 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 34' ' ' ILE . 58.2 mt -48.5 -53.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.37 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.77 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.245 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.564 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -69.14 -60.38 2.39 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.444 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -67.46 -44.58 78.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.405 -178.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.507 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 69.4 mt -61.03 -43.9 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.165 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 5.9 ptpp? -64.38 -44.28 91.82 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.676 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.85 -49.42 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.495 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.1 m-85 -69.51 -46.41 66.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.063 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.9 -40.9 70.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -84.21 -42.11 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.607 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -73.61 -60.16 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.359 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.3 m-85 -85.66 -14.41 45.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.016 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.03 145.66 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.437 0 C-N-CA 122.821 0.449 . . . . 0.0 110.0 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -60.01 168.87 5.36 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.124 1.882 . . . . 0.0 112.425 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.424 HG22 ' CE1' ' A' ' 55' ' ' HIS . 12.9 t -117.88 115.58 25.23 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.904 0.481 . . . . 0.0 110.85 0.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.557 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.2 m95 -94.24 129.48 40.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.284 0.564 . . . . 0.0 112.407 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 31.4 m-70 -107.28 141.29 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.739 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 53.0 t -144.06 144.52 31.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.559 0.695 . . . . 0.0 112.764 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.468 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 28.9 mm -144.22 148.03 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.358 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 49.1 t -155.26 137.05 5.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.827 0.346 . . . . 0.0 111.376 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.28 -135.02 2.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.254 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 15.3 ptm180 -177.88 38.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.678 0.275 . . . . 0.0 111.148 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 171.09 65.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.495 ' CD2' ' CD2' ' B' ' 62' ' ' PHE . 8.9 p90 -163.63 133.07 4.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.039 0.447 . . . . 0.0 112.027 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -81.11 138.31 19.05 Favored Glycine 0 CA--C 1.517 0.185 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.458 ' HB3' HD11 ' C' ' 6' ' ' ILE . 32.2 t -126.29 147.37 49.72 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.651 0.726 . . . . 0.0 112.714 -178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 23.7 t80 -149.94 128.25 12.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' C' ' 4' ' ' THR . 24.8 t -156.81 169.68 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.685 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 87.3 m -124.55 143.79 50.49 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.435 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.1 p80 -163.99 150.86 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.795 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG3' ' CG ' ' A' ' 72' ' ' HIS . 16.5 pt-20 -60.75 144.68 51.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.192 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 p -56.49 148.58 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.4 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 65.06 36.78 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.684 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.421 ' CG ' ' HG3' ' A' ' 69' ' ' GLU . 62.6 m80 -154.03 54.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.827 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 73.0 t80 -159.25 143.53 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 18' ' ' GLN . 7.1 tt -153.62 138.6 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -144.93 134.39 23.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.823 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.9 p90 -164.27 140.03 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.368 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.556 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 16.5 m-30 -73.18 143.37 47.24 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.856 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 5.7 tt -168.6 138.71 2.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.785 0.326 . . . . 0.0 110.818 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.413 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 55.49 39.84 75.44 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.565 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 3.8 mm100 56.35 36.48 27.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.809 0.337 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 26.8 m -159.05 134.25 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.786 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.65 130.53 40.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.446 HD12 HG22 ' A' ' 83' ' ' ILE . 57.0 mt -112.5 139.69 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.427 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 57.8 tp -132.59 138.27 47.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.1 tp -158.29 139.81 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.435 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.7 p90 -173.98 132.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.285 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -92.6 140.8 29.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.736 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.5 t -116.25 133.04 56.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.521 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 83.9 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.788 0.328 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.21 131.82 50.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 p30 179.91 135.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.417 ' NE ' ' O ' ' B' ' 4' ' ' ARG . 1.6 tmm_? -177.84 54.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.052 0.453 . . . . 0.0 110.172 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -64.17 -139.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.337 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . 63.89 128.47 0.01 OUTLIER 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.538 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.0 m -87.07 135.77 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 120.981 0.419 . . . . 0.0 111.531 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' B' ' 76' ' ' PHE . 6.2 tp -95.12 142.45 13.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.944 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -131.81 -41.32 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 74.0 m-20 -115.62 49.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.9 137.76 54.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.472 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 63.7 t0 -174.37 52.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.432 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 55.2 mtt -158.62 143.57 16.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -46.15 145.17 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 56.2 mt-10 -43.34 -39.65 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.74 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.468 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -67.69 -43.44 80.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.678 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.438 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 67.0 mtt -64.51 -47.31 79.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.716 0.293 . . . . 0.0 111.229 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.7 pt20 -65.27 -37.23 86.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.724 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.468 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.0 pt20 -71.66 -37.96 70.72 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.419 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -66.47 -40.2 89.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.012 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.473 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.32 -44.53 90.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.01 -43.52 78.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.72 -33.46 73.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.461 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -72.57 -39.15 67.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.147 0.498 . . . . 0.0 109.986 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -65.19 -45.93 82.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.433 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 87.8 mt-30 -62.49 -39.31 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.278 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.443 ' HB1' ' CD2' ' B' ' 41' ' ' HIS . . . -59.12 -44.04 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.358 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.19 -45.06 90.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.562 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 12.1 pt-20 -70.43 -32.61 70.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -83.6 -34.64 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.8 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.463 ' CG ' ' OD2' ' B' ' 37' ' ' ASP . 32.3 m-85 -124.06 -44.78 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 68.23 51.77 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.435 ' O ' HD12 ' B' ' 38' ' ' ILE . 57.3 mt -145.71 134.99 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.607 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.415 ' OE2' ' HB ' ' B' ' 81' ' ' VAL . 3.7 mm-40 -61.7 -48.66 79.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.512 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.425 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 2.0 tmmm? -69.73 -49.76 50.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.219 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.463 ' OD2' ' CG ' ' B' ' 32' ' ' TYR . 35.4 t70 -61.71 -44.39 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.435 HD12 ' O ' ' B' ' 34' ' ' ILE . 0.2 OUTLIER -55.47 -51.16 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.994 0.426 . . . . 0.0 110.667 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -24.01 67.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -67.58 -55.58 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.821 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.516 ' HA ' ' HE3' ' B' ' 44' ' ' LYS . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 -179.108 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' B' ' 41' ' ' HIS . 70.7 mt -60.18 -42.94 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.907 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -62.5 -52.51 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.516 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.5 pttp -61.36 -43.37 98.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 65.9 mm-40 -59.98 -44.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.613 0.244 . . . . 0.0 111.632 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.47 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 15.2 m-85 -64.83 -38.93 92.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.652 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD1' ' B' ' 54' ' ' TRP . 19.4 m-20 -64.44 -38.38 90.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.762 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.621 ' HD3' ' N ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -80.54 -27.79 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.042 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.621 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 27.8 tptp -90.31 -63.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 4.2 m-85 -86.24 -15.11 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 66.4 m-20 95.36 141.59 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.521 0 C-N-CA 122.963 0.505 . . . . 0.0 110.491 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 28.9 Cg_endo -62.92 167.8 11.55 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.776 2.317 . . . . 0.0 113.283 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.517 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.3 t -114.71 127.27 55.66 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 122.436 0.294 . . . . 0.0 111.139 0.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.54 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.8 m95 -100.66 130.95 46.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 111.824 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.481 ' HD1' HG11 ' A' ' 66' ' ' VAL . 15.6 m-70 -110.27 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.037 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 42.3 t -135.1 148.81 49.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.357 0.599 . . . . 0.0 112.216 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.463 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 54.4 mt -149.92 143.77 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.713 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 47.6 t -150.86 140.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 111.363 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.98 -131.98 1.8 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 16.0 ptp180 -172.59 32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 32.5 t30 168.33 81.71 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.723 0.297 . . . . 0.0 110.518 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.495 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 4.1 p90 -168.95 133.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.075 0.464 . . . . 0.0 111.77 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.65 133.58 12.59 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -128.18 143.45 51.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.48 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 1.7 t80 -152.36 121.13 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.423 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' D' ' 4' ' ' THR . 24.0 t -155.73 163.56 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.411 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.2 m -103.91 158.92 16.08 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.462 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.0 p80 -163.52 144.77 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.254 0.55 . . . . 0.0 112.083 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.76 160.41 17.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.377 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.7 p -55.92 142.35 35.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.933 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.595 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 61.28 15.84 6.8 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.477 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.5 ' ND1' ' HG3' ' B' ' 87' ' ' LYS . 57.6 m170 -124.66 69.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.402 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.505 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 2.3 t80 -160.9 132.41 5.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 11.6 tt -155.55 142.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.06 0.457 . . . . 0.0 111.406 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.507 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 5.8 t80 -157.34 134.34 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.141 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.538 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 6.8 p90 -166.79 142.63 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.183 0.516 . . . . 0.0 111.819 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 68.9 m-85 -83.91 150.81 25.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.162 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 37.2 tp -155.8 131.57 9.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.781 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.77 -65.27 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.09 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' B' ' 78' ' ' LEU . 25.8 pt20 178.89 39.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.415 ' HB ' ' OE2' ' B' ' 35' ' ' GLU . 34.2 m -156.82 137.78 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.344 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -77.92 130.21 36.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.255 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 62.0 mt -113.08 141.43 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 60.9 tp -141.58 142.01 33.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 60.9 tp -160.2 142.33 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.51 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.505 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 9.4 p90 -179.11 135.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.032 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.54 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.6 ptmt -98.27 170.41 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.671 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.4 t -146.96 132.81 19.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.603 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.415 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.408 ' HG2' ' O ' ' C' ' 1' ' ' MET . 27.8 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -154.91 133.87 12.26 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.271 0.557 . . . . 0.0 111.4 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.685 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 10.1 p-10 -79.83 128.91 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.863 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.5 t -78.31 136.4 37.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.071 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.443 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -133.04 120.2 2.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.332 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 64' ' ' SER . 2.5 pp -160.32 141.97 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.974 0.416 . . . . 0.0 111.193 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.435 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.8 pt20 -115.3 113.3 23.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 37.0 t -89.29 44.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.79 ' CB ' ' N ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.27 -0.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.493 ' HB3' ' CD1' ' C' ' 12' ' ' LEU . 45.7 mtp85 -64.17 139.42 58.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 0.0 110.618 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.87 46.41 0.68 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.493 ' CD1' ' HB3' ' C' ' 10' ' ' ARG . 7.2 mp -82.78 54.19 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 111.067 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -55.22 132.66 48.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.49 -136.01 49.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.354 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.92 -49.4 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.673 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' C' ' 17' ' ' HIS . 77.9 p 178.27 135.37 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.774 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' C' ' 16' ' ' SER . 91.3 m-70 -159.72 -52.25 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.385 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.884 0.373 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' B' ' 68' ' ' HIS . 97.6 mttt -158.18 144.1 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.608 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 2.5 p30 -94.96 127.76 41.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.333 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.529 ' N ' ' O ' ' B' ' 66' ' ' VAL . 42.4 m -73.26 147.13 44.87 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.999 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.457 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -157.15 127.63 1.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.646 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.8 pp -161.59 138.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.994 0.425 . . . . 0.0 111.299 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 21.8 pt20 -104.12 82.71 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 62.7 t -69.7 133.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.812 0.339 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 57.7 m-20 -159.19 43.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.618 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' D' ' 10' ' ' ARG . 11.7 tpt180 59.65 43.76 15.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -84.18 48.17 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.468 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' D' ' 12' ' ' LEU . 4.4 mp -86.21 46.41 1.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.74 0.305 . . . . 0.0 111.289 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -177.8 126.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.965 0.412 . . . . 0.0 110.968 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.56 52.38 4.46 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.633 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -170.83 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.675 0.274 . . . . 0.0 111.233 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 78.7 p -168.15 140.87 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 111.09 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -54.58 135.68 46.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.065 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' D' ' 18' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.12 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.777 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -178.51 133.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 5.3 tmm_? -177.17 129.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.427 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' N ' ' HD2' ' A' ' 4' ' ' ARG . 23.1 tptm -176.43 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.065 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.27 127.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.081 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -86.42 137.3 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 112.144 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -82.58 150.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.805 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -141.43 -44.11 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.415 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -126.29 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.184 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.77 140.03 57.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -172.56 56.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.284 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.413 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 19.6 ptm -172.48 172.42 4.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.969 0.414 . . . . 0.0 111.293 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.8 m -48.06 142.57 5.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.678 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.481 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 56.1 mt-10 -56.95 -45.62 82.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.559 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.61 -43.2 99.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.271 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.413 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 65.9 mtt -58.88 -51.06 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.324 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 12.7 pt20 -58.27 -38.27 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.411 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -65.63 -44.32 86.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.24 -37.18 86.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.1 t -66.5 -45.62 78.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.82 -48.37 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.616 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.63 -41.5 92.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.188 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.85 -35.46 80.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.847 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.69 -38.32 83.53 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.236 0.541 . . . . 0.0 109.616 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.4 m -60.6 -44.11 96.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -59.94 -44.64 94.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.355 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 38' ' ' ILE . . . -55.93 -42.34 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.759 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 51.6 mt -60.39 -50.26 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.57 -31.13 71.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 60.0 mttp -79.28 -32.56 43.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.713 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 5.8 m-85 -139.61 -44.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 112.168 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 23.9 t-20 69.65 53.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 110.583 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.52 ' O ' HG13 ' A' ' 38' ' ' ILE . 49.5 mm -145.29 127.34 9.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -48.35 -50.27 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.558 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 35.1 ttpt -62.32 -56.96 13.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.457 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -55.51 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.011 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 34' ' ' ILE . 96.6 mt -50.5 -43.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 0.0 111.397 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' HB2' ' CD1' ' B' ' 65' ' ' TYR . . . -62.36 -36.25 81.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.563 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' HB3' ' CE2' ' B' ' 65' ' ' TYR . . . -67.68 -45.67 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 32' ' ' TYR . 17.4 m-70 -63.7 -52.04 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 111.795 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.13 -49.64 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.06 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 43' ' ' LYS . 5.8 tmmm? -56.33 -57.52 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -60.79 -42.74 98.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -53.36 -50.15 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.83 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.455 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 14.2 m-85 -69.94 -41.4 74.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 58.0 m-20 -52.41 -32.89 41.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.901 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.49 -46.23 23.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.661 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -82.38 -60.51 2.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.2 m-85 -81.32 -17.84 47.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.55 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.0 m120 90.17 143.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.315 0 C-N-CA 122.698 0.399 . . . . 0.0 110.167 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.413 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.0 Cg_endo -60.42 167.97 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.426 2.084 . . . . 0.0 113.074 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 9.0 t -113.1 132.11 55.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.679 0.392 . . . . 0.0 111.304 0.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.563 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 33.0 m95 -106.78 132.14 53.09 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.189 0.519 . . . . 0.0 111.823 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 15.6 m-70 -107.73 134.86 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.891 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -138.84 151.86 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.423 0.63 . . . . 0.0 112.41 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.42 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 55.0 mt -150.21 144.7 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.664 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -146.95 129.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 111.102 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.81 -132.82 1.9 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.183 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.8 ptt180 -179.01 36.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 13.4 t-20 171.37 78.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.301 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.488 ' CD2' ' CB ' ' B' ' 62' ' ' PHE . 23.4 p90 -167.24 133.68 2.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -83.47 133.19 11.66 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 177.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.434 ' HA ' HD12 ' B' ' 57' ' ' ILE . 43.8 t -128.04 144.07 51.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.848 0.824 . . . . 0.0 113.092 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.47 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 0.9 OUTLIER -149.49 121.72 8.37 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.447 178.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 4' ' ' THR . 21.5 t -153.54 168.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.405 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.812 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 92.5 m -119.68 143.18 47.87 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.7 p80 -163.56 152.88 14.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.008 0.432 . . . . 0.0 111.59 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -58.67 138.21 57.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.991 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 60.9 p -58.31 147.97 29.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.221 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 7.1 mmpt? 67.53 36.4 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.129 0.49 . . . . 0.0 110.206 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -153.57 48.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.292 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 74' ' ' ILE . 7.1 t80 -156.54 146.57 21.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.085 0.469 . . . . 0.0 111.412 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 9.8 tt -159.88 141.69 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.247 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -135.44 135.74 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.379 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 8.5 p90 -165.69 140.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.171 0.51 . . . . 0.0 112.06 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -83.46 154.72 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' GLN . 55.5 tp -161.25 136.9 7.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.46 . . . . 0.0 111.685 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.44 -66.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.953 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 51.0 tt0 179.8 36.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.099 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 30.2 m -159.45 134.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.09 122.65 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.458 HD12 HG23 ' A' ' 83' ' ' ILE . 58.4 mt -100.7 143.05 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.04 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.0 tp -134.23 139.92 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.3 tp -158.52 136.75 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.479 ' CB ' ' HA ' ' A' ' 73' ' ' PHE . 4.3 p90 -174.36 127.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 20.9 ptmt -96.06 170.39 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.286 0.565 . . . . 0.0 111.826 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.6 m -148.33 133.02 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.65 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.285 -1.286 . . . . 0.0 112.353 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.781 0.324 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . 0.419 ' HB3' ' CZ ' ' B' ' 4' ' ' ARG . 42.5 t -175.83 42.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.69 38.78 11.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.661 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.419 ' CZ ' ' HB3' ' B' ' 2' ' ' CYS . 1.0 OUTLIER -95.15 35.43 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 111.096 179.147 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.477 ' HE3' ' CD1' ' B' ' 78' ' ' LEU . 0.0 OUTLIER -54.67 -29.88 53.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.422 ' HB3' ' CD1' ' B' ' 78' ' ' LEU . . . -53.06 127.07 22.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.095 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 25.8 m -91.67 137.04 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 111.609 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -83.49 128.74 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.178 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.626 ' HA ' ' HE3' ' B' ' 9' ' ' LYS . 0.0 OUTLIER -86.89 -42.06 13.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.23 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -171.22 63.69 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.83 0.347 . . . . 0.0 111.349 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.24 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 59.1 m-20 -156.59 61.74 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 111.459 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 22.0 ptm -173.24 -174.08 0.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.964 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.0 m -53.8 137.1 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.331 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.3 pt-20 -56.33 -44.9 80.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.403 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.506 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.5 pt-20 -58.06 -45.96 86.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.503 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.66 -46.42 88.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.471 ' HA ' HD12 ' B' ' 74' ' ' ILE . 16.6 pt20 -66.73 -38.27 86.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.604 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.9 pt20 -73.29 -36.01 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.511 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -69.9 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.698 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -67.58 -42.39 82.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 0.0 110.079 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.74 -48.95 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.393 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.18 -43.28 87.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.882 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.12 -36.18 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.443 ' O ' ' CD1' ' B' ' 29' ' ' LEU . . . -67.74 -45.52 74.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.1 m -54.63 -42.04 70.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.187 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.432 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 39.8 tt0 -59.75 -43.38 94.29 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.043 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' B' ' 38' ' ' ILE . . . -55.49 -44.97 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.211 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' B' ' 25' ' ' ALA . 7.4 mp -61.06 -48.06 83.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.83 0.348 . . . . 0.0 111.37 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 22.9 pt-20 -67.92 -31.12 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.586 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.432 ' CD ' ' HG2' ' B' ' 27' ' ' GLN . 55.9 mtpt -79.43 -27.53 41.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.702 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.549 ' CE2' ' CE1' ' B' ' 41' ' ' HIS . 57.0 m-85 -146.56 -43.02 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.441 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.2 t30 70.23 51.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.087 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.529 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.2 mt -134.5 126.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.87 -47.76 60.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -65.71 -55.67 16.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 0.0 111.848 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.11 -44.75 71.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.451 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.529 HG13 ' O ' ' B' ' 34' ' ' ILE . 97.3 mt -47.04 -48.31 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.92 80.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.47 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -63.68 -48.89 75.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.549 ' CE1' ' CE2' ' B' ' 32' ' ' TYR . 34.3 m-70 -57.9 -50.99 71.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 110.656 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.44 HG23 ' CE1' ' B' ' 46' ' ' PHE . 61.8 mt -67.35 -34.0 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.641 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' B' ' 47' ' ' ASP . 29.2 tptp -57.87 -68.67 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.568 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.48 -43.8 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -53.17 -48.37 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.44 ' CE1' HG23 ' B' ' 42' ' ' ILE . 5.7 m-85 -75.02 -42.87 56.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 58.2 m-20 -57.99 -40.09 79.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 110.959 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -74.43 -41.13 61.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.841 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.37 -70.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.3 m-85 -78.77 -13.67 59.69 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -177.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 61.8 m-20 92.91 143.0 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 122.726 0.411 . . . . 0.0 110.496 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.435 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 35.3 Cg_endo -64.67 171.28 8.59 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.533 2.155 . . . . 0.0 113.101 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.435 ' HA ' ' CB ' ' B' ' 52' ' ' PRO . 12.6 t -117.37 114.96 24.31 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.24 0.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.722 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -88.63 120.66 30.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.874 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.419 ' HD1' HG11 ' A' ' 66' ' ' VAL . 35.0 m-70 -89.2 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 18.2 p -142.3 143.16 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.599 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.45 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 28.7 mm -143.33 149.54 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.73 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -153.56 132.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.362 . . . . 0.0 111.257 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.01 -135.06 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.591 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.5 ptt180 -176.86 37.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.661 0.267 . . . . 0.0 111.082 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.591 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 20.5 t-20 165.31 81.64 0.0 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.209 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.488 ' CB ' ' CD2' ' A' ' 62' ' ' PHE . 18.3 p90 -176.4 140.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -93.71 142.08 15.84 Favored Glycine 0 N--CA 1.454 -0.135 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.937 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -144.31 146.35 32.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 117.861 0.83 . . . . 0.0 113.051 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.443 ' HA ' ' O ' ' D' ' 4' ' ' THR . 14.7 m-85 -139.25 136.45 34.96 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.168 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 17.1 t -158.41 158.19 2.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.647 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.472 ' N ' HG13 ' B' ' 66' ' ' VAL . 92.0 m -105.51 152.51 22.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -169.16 147.21 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.01 156.86 34.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.17 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -61.95 157.1 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.62 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.572 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 66.04 36.78 5.59 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.235 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.0 m-70 -163.47 69.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' B' ' 73' ' ' PHE . 1.5 t80 -154.59 127.24 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' B' ' 18' ' ' GLN . 13.2 tt -154.83 146.15 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.294 0.568 . . . . 0.0 111.718 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.408 ' OH ' ' CG2' ' D' ' 8' ' ' VAL . 2.1 t80 -155.66 136.56 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.135 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.9 p90 -165.24 142.27 5.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -78.85 149.75 32.43 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.988 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.477 ' CD1' ' HE3' ' B' ' 5' ' ' LYS . 28.1 tp -158.05 133.61 8.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 111.895 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.77 -66.48 0.18 Allowed Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 80' ' ' GLN . 39.7 tt0 179.0 38.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.096 0.474 . . . . 0.0 109.837 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 31.5 m -159.42 137.83 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.176 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.68 137.67 48.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.486 HG22 HD12 ' B' ' 83' ' ' ILE . 58.6 mt -122.33 141.62 42.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.288 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 54.8 tp -136.11 139.65 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 53.3 tp -154.43 141.45 19.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.029 0.443 . . . . 0.0 111.141 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.413 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 3.3 p90 -178.45 128.22 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.948 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.722 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.5 ptpt -80.06 164.34 23.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.178 0.513 . . . . 0.0 111.684 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 62.3 m -146.56 134.27 21.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.693 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.526 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.789 0.328 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' C' ' 2' ' ' LYS . 0.1 OUTLIER -164.52 142.86 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 110.983 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.812 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -86.99 132.87 33.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.33 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.9 t -74.79 143.59 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.477 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -143.76 118.55 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.44 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.5 pp -163.09 168.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.409 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 26.5 pt20 -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 53.6 t -119.09 136.83 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.803 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.22 -0.445 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -71.55 129.65 39.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -83.53 52.35 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 81.3 mt -53.54 -27.95 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.856 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 62.98 135.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.87 39.57 2.74 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.897 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 pttt 177.22 126.52 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.633 0.254 . . . . 0.0 110.318 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t 62.21 135.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.629 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -58.02 126.76 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' C' ' 18' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 120.67 0.271 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -158.94 136.03 9.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.8 p-10 -73.74 119.48 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.831 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 66' ' ' VAL . 14.9 t -69.65 138.58 53.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.709 178.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.429 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -142.88 125.05 2.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.013 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.5 pp -162.15 146.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.229 0.538 . . . . 0.0 111.992 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.463 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 15.2 pt20 -125.18 108.32 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 23.9 t -72.15 131.69 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -161.57 48.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -55.6 134.37 50.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -76.43 54.31 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.297 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 79.6 mt -78.29 46.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.481 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -161.21 -47.43 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.82 -133.18 2.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.371 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.44 -43.55 93.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' D' ' 17' ' ' HIS . 80.4 p -177.44 130.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' D' ' 16' ' ' SER . 91.9 m-70 -161.18 -44.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.765 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.1 p -179.02 136.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 63.15 136.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 49.6 ttt-85 -60.46 133.49 56.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 31.8 mmmt -157.99 -105.4 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.573 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 78' ' ' LEU . . . 67.74 129.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.936 0.398 . . . . 0.0 111.24 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.25 139.58 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.221 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.443 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -79.76 147.24 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.953 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.96 -36.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 76.2 m-20 -143.47 48.67 1.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.624 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.12 143.75 56.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.499 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -162.29 54.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 111.496 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.5 ptp -169.68 -174.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.402 ' OG ' ' HG3' ' A' ' 17' ' ' MET . 60.7 p -60.94 143.06 55.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.034 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.1 mt-10 -54.45 -43.06 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.617 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.03 -47.79 82.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.819 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.402 ' HG3' ' OG ' ' A' ' 14' ' ' SER . 67.5 mtt -57.21 -51.12 70.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.697 0.284 . . . . 0.0 111.585 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 14.8 pt20 -60.5 -37.2 80.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.121 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 73.2 mt-30 -67.27 -44.08 80.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.121 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.522 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m-20 -65.45 -37.64 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -66.88 -41.16 87.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.236 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.448 ' CG2' ' CE2' ' A' ' 76' ' ' PHE . 59.9 t -64.87 -48.63 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.678 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.522 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -67.47 -41.88 83.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.13 -33.35 75.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.5 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -69.92 -40.82 75.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 109.775 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -60.23 -48.14 83.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.257 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.441 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 73.5 mt-30 -58.25 -38.73 77.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.676 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' HB3' HG12 ' A' ' 38' ' ' ILE . . . -54.1 -49.58 68.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.904 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.3 mt -58.73 -43.8 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.79 -33.69 73.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.435 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -87.71 -44.8 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 92.6 m-85 -110.35 -45.91 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.868 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 21.6 t-20 67.88 43.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 110.161 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.567 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.5 mt -153.44 122.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.461 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -43.94 -44.56 7.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.018 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.89 -58.81 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.434 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.425 ' HB3' ' CG ' ' A' ' 32' ' ' TYR . 57.4 m-20 -57.45 -42.83 83.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.549 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 34' ' ' ILE . 91.8 mt -48.42 -52.59 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.156 0.503 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -64.75 -30.47 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.325 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.26 -62.83 1.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -61.93 -47.25 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.303 -178.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.5 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 83.4 mt -57.38 -38.86 64.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.237 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -61.33 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.155 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -57.56 -44.22 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.746 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.16 -52.64 64.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.653 0.263 . . . . 0.0 111.053 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.461 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 44.6 m-85 -66.15 -42.0 89.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.675 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 6.3 t0 -59.82 -36.4 76.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.506 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.56 -44.31 19.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.316 -179.228 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.0 -66.89 0.79 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.566 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.1 m-85 -79.06 -20.55 48.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.633 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.566 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.3 143.6 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.656 0.382 . . . . 0.0 110.205 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.439 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 13.6 Cg_endo -57.4 170.51 1.7 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.631 2.22 . . . . 0.0 113.102 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 13.5 t -116.74 109.66 17.43 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 121.05 0.453 . . . . 0.0 111.193 0.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.738 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.0 m95 -85.77 124.29 32.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.462 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.442 ' HD1' HG13 ' B' ' 66' ' ' VAL . 45.1 m-70 -91.44 131.29 37.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.986 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.424 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 80.1 m -120.56 139.99 52.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.237 0.541 . . . . 0.0 111.856 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 56.7 mt -151.49 137.55 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.674 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -153.21 135.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.468 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.4 -132.07 1.86 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.706 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.509 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 26.3 ptt-85 -178.89 35.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 38.4 t30 167.71 81.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.645 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 15.1 p90 -166.92 138.08 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.425 0.631 . . . . 0.0 112.618 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.64 142.32 16.02 Favored Glycine 0 N--CA 1.454 -0.164 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.8 m -159.84 154.64 24.44 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' B' ' 40' ' ' ALA . 22.0 m-85 -144.03 142.42 30.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.067 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.697 HG13 ' HD1' ' B' ' 55' ' ' HIS . 54.2 t -157.46 166.73 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.432 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 91.5 m -126.24 142.41 51.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.9 p80 -162.65 151.88 15.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.653 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt-20 -60.82 145.71 48.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.2 p -59.77 152.75 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.692 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 66.58 37.54 4.43 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.146 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.427 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 64.3 m80 -157.54 56.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.486 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 5.6 t80 -164.76 144.91 7.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.148 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -158.37 135.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.07 0.462 . . . . 0.0 111.25 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.42 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 45.3 t80 -134.16 142.42 47.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.653 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.469 ' CD1' ' CD1' ' A' ' 74' ' ' ILE . 1.1 p90 -169.92 137.84 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.145 0.497 . . . . 0.0 111.999 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -83.0 154.82 24.28 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.146 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 51.3 tp -161.09 131.27 5.04 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.99 -66.47 0.13 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.236 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.414 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 26.3 pt20 -178.62 36.86 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.079 0.466 . . . . 0.0 110.173 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 27.1 m -160.34 135.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.43 125.27 30.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -103.77 140.07 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.262 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.3 tp -136.8 138.8 41.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD2' ' CE2' ' A' ' 46' ' ' PHE . 58.0 tp -156.66 139.41 15.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.828 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.6 p90 -176.2 128.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.437 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.738 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -81.54 163.5 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -179.654 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.1 t -141.81 132.92 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.529 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.795 0.331 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 85.3 m 63.08 139.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -157.79 134.43 9.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 59.12 42.14 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.583 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.488 ' HE3' HD12 ' B' ' 78' ' ' LEU . 0.0 OUTLIER -46.99 -27.78 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.135 179.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' B' ' 78' ' ' LEU . . . -47.79 132.97 14.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.797 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.49 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -96.56 137.06 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.631 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.456 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -88.64 144.35 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -124.15 -50.36 1.8 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.496 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -100.05 -58.92 1.81 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.351 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.93 136.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.046 0.451 . . . . 0.0 111.677 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 36.8 t70 -179.58 48.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.207 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' B' ' 17' ' ' MET . 86.4 mtp -152.38 138.38 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.632 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 63.2 p -45.13 147.35 0.73 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.2 pt-20 -39.25 -46.23 1.49 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.484 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 23.0 pt-20 -65.2 -44.3 88.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.787 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.466 ' HB3' ' CE ' ' B' ' 13' ' ' MET . 90.1 mtp -63.78 -45.14 91.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.289 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.7 pt20 -67.49 -38.77 84.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.652 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.4 pt20 -71.56 -32.54 68.21 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.408 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -69.5 -40.78 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.521 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -69.24 -44.59 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.037 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.17 -43.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.427 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -69.06 -42.54 76.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.61 -34.97 79.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.38 -38.55 78.07 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.185 0.517 . . . . 0.0 109.875 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -59.92 -45.91 91.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.173 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.3 -38.85 88.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.806 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.26 -46.06 76.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.287 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.32 -45.54 87.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.66 -32.92 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.231 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -84.32 -35.18 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.979 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -121.74 -44.48 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.841 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 64.95 41.58 4.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.496 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.9 mt -152.74 112.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.449 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' B' ' 58' ' ' VAL . 0.7 OUTLIER -41.3 -41.91 2.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.26 -179.385 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -59.02 -56.16 25.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.241 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.456 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -61.95 -40.49 95.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.698 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.496 HG13 ' O ' ' B' ' 34' ' ' ILE . 81.6 mt -46.45 -54.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.41 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.114 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 65' ' ' TYR . . . -67.69 -63.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.455 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -64.86 -46.55 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.661 -178.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.526 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 68.3 mt -59.61 -46.71 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.612 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.465 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 4.5 ttpm? -58.03 -50.0 74.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.774 0.321 . . . . 0.0 111.158 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -59.31 -45.06 92.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.562 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.54 -49.09 73.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 111.056 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.511 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 28.7 m-85 -63.5 -45.95 88.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.565 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.523 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 64.4 m-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.407 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.489 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 3.5 tmtp? -76.12 -40.7 52.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.433 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -82.62 -60.87 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.525 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.27 -21.47 31.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.525 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 64.0 m-20 93.54 142.27 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 122.656 0.382 . . . . 0.0 109.995 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.98 168.65 0.79 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.311 2.008 . . . . 0.0 112.786 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 9.9 t -117.87 118.97 33.46 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 122.63 0.372 . . . . 0.0 111.256 0.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.59 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.9 m95 -94.11 127.6 40.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.344 0.592 . . . . 0.0 112.368 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.697 ' HD1' HG13 ' A' ' 66' ' ' VAL . 32.7 m-70 -101.39 137.79 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.125 178.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.6 t -139.64 149.4 43.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.347 0.594 . . . . 0.0 112.273 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.45 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 62.9 mt -150.73 143.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.803 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 58.2 t -155.1 132.44 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 111.418 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 173.88 -141.63 6.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.692 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.569 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 25.3 mmt180 -160.44 37.85 0.17 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.569 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 163.97 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.645 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 9.7 p90 -164.78 141.91 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.59 142.28 16.58 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 55.4 m -144.68 145.41 31.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.567 0.683 . . . . 0.0 112.512 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.467 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 3.7 t80 -152.31 129.78 11.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.257 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 45.7 t -158.33 168.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.121 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.491 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 99.6 m -124.5 142.09 51.59 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -161.29 148.22 14.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.091 0.472 . . . . 0.0 112.073 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.74 154.44 33.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.21 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.5 p -62.85 154.32 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.675 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.567 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.14 38.45 8.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 88.9 m-70 -162.84 69.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.274 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.608 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 5.5 t80 -176.86 145.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.9 tt -163.32 125.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.123 0.487 . . . . 0.0 111.842 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -117.87 136.44 53.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.151 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 1.9 p90 -170.04 138.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.004 0.431 . . . . 0.0 111.546 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.424 ' CE2' ' HB1' ' B' ' 82' ' ' ALA . 4.1 m-85 -78.85 147.2 33.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.808 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.488 HD12 ' HE3' ' B' ' 5' ' ' LYS . 48.2 tp -162.63 144.96 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.82 39.64 68.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.322 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.423 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 10.0 mm100 59.67 36.75 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.608 0.242 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 28.8 m -159.92 136.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -69.44 136.66 51.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 60.8 mt -127.67 143.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.38 140.76 37.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.691 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.416 HD22 ' CE2' ' B' ' 46' ' ' PHE . 57.6 tp -153.61 138.73 17.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.759 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.608 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.2 p90 -177.56 131.31 0.16 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 63.5 pttt -91.73 148.69 22.06 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.182 0.515 . . . . 0.0 111.882 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.8 t -119.64 129.55 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.673 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.597 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 93.9 mmm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.792 0.329 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.486 ' HB3' ' NZ ' ' C' ' 2' ' ' LYS . 8.4 mtpm? -158.18 130.42 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.559 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 43.5 p-10 -76.57 120.45 21.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.635 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' THR . . . . . . . . . . . . . 11.7 t -80.25 132.8 35.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.257 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.02 134.05 9.05 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.799 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 pt -153.59 167.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.517 0.675 . . . . 0.0 112.261 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' C' ' 7' ' ' GLN . 2.9 tp60 -158.74 76.77 0.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.841 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 48.1 t -69.37 146.24 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.793 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.672 -0.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -66.51 134.49 52.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -176.57 51.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.415 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' C' ' 12' ' ' LEU . 5.3 mp -75.58 45.32 0.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.184 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -135.94 141.75 44.53 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.669 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.81 -133.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.659 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.451 ' HB3' ' NZ ' ' C' ' 15' ' ' LYS . 7.9 mtpm? -59.42 -41.87 90.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 111.171 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 51.8 m -57.83 127.45 32.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 111.235 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -79.65 138.09 37.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.81 179.716 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 120.735 0.302 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.484 ' HA ' ' HE2' ' D' ' 2' ' ' LYS . 5.8 mmpt? -148.56 132.55 17.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 110.816 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.509 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.3 p-10 -75.59 122.61 24.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.548 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 66' ' ' VAL . 12.7 t -76.32 137.66 40.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -135.34 127.06 4.2 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.975 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 47.5 pt -157.5 170.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.092 0.473 . . . . 0.0 111.432 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -162.15 87.58 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.985 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.2 t -69.5 146.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.341 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' D' ' 9' ' ' ASP . 9.6 t70 -179.68 44.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.113 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.482 ' HD2' ' N ' ' D' ' 10' ' ' ARG . 0.4 OUTLIER -75.56 -44.86 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.647 -179.463 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 63.51 45.54 4.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.18 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 67.6 mt -75.49 55.42 0.81 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.421 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.01 135.08 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.078 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.36 -122.16 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.52 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -48.28 -42.61 31.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -61.22 136.98 58.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.611 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . 0.465 ' CD2' ' HG2' ' D' ' 18' ' ' LYS . 23.0 p-80 -50.37 -47.66 56.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.182 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . 0.465 ' HG2' ' CD2' ' D' ' 17' ' ' HIS . 21.7 pttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' A' ' 1' ' ' MET . 51.3 ttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 121.055 0.455 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.9 m -63.66 -45.45 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.37 56.12 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.349 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.513 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 28.9 tpt180 -87.77 43.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.0 0.428 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -79.48 -133.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.287 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . 64.21 128.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.786 0.326 . . . . 0.0 111.565 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 23.9 m -108.72 137.92 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.783 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -85.09 138.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.799 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -119.42 -48.32 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.372 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -93.7 -58.52 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 61.2 129.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.511 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 64.8 t0 179.03 47.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.057 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.406 ' HB3' ' HB3' ' A' ' 17' ' ' MET . 58.8 mtt -157.93 144.95 18.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.629 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -49.38 144.66 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.64 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.7 pt-20 -42.13 -40.54 2.35 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.47 -45.79 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.468 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.406 ' HB3' ' HB3' ' A' ' 13' ' ' MET . 46.7 ttm -60.69 -50.32 73.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.667 0.27 . . . . 0.0 111.154 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 17.6 pt20 -61.77 -35.54 78.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.364 . . . . 0.0 110.469 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.11 -44.56 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -36.95 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.685 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.7 m -64.56 -43.4 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.986 0.422 . . . . 0.0 109.925 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.27 -47.47 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.66 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.8 -44.64 85.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.1 m -63.63 -32.51 74.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.31 -38.37 71.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 87.2 m -62.41 -47.32 84.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.349 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.623 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.1 tt0 -60.2 -48.73 80.5 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.938 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 38' ' ' ILE . . . -53.19 -35.41 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.825 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' THR . 44.8 mt -63.09 -54.92 30.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.035 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 20.4 pt-20 -59.19 -21.11 58.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.081 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 31.3 mmmt -71.13 -40.65 71.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -153.75 -45.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 179.176 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 67.87 57.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.8 mt -136.44 29.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 64.29 -63.47 0.16 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.424 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.3 ttpm? -56.61 -57.0 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 111.441 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 m-20 -58.35 -40.31 81.84 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.199 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.477 ' HA ' ' CB ' ' A' ' 28' ' ' ALA . 56.1 mt -49.83 -46.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.312 0.577 . . . . 0.0 110.07 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -67.02 -25.86 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.988 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -62.52 -47.88 82.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.441 . . . . 0.0 110.692 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 31' ' ' LYS . 66.4 m-70 -68.41 -47.49 67.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.379 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.9 mt -63.25 -44.55 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.013 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 39' ' ' ALA . 14.9 ptmm? -62.93 -48.22 79.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.663 0.268 . . . . 0.0 111.576 -179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 67.1 mttm -70.26 -44.6 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -54.47 -51.74 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.479 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -70.09 -41.49 73.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 5.2 t0 -57.88 -37.18 73.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.44 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 4.2 tmtt? -75.98 -45.36 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.784 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -81.94 -64.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -76.38 -21.97 55.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.552 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 35.4 t30 92.2 137.44 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.475 0 O-C-N 123.289 0.368 . . . . 0.0 110.25 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.432 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 8.0 Cg_endo -50.52 169.77 0.15 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.772 2.315 . . . . 0.0 113.269 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 53' ' ' THR . 12.9 t -117.41 106.64 13.43 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.161 0.505 . . . . 0.0 111.416 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.694 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.3 m95 -85.88 122.46 29.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.102 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.531 ' ND1' HG12 ' B' ' 66' ' ' VAL . 32.3 m-70 -96.35 133.87 40.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 42.8 t -132.7 138.61 47.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.396 0.617 . . . . 0.0 112.401 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 2.7 mp -137.67 139.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.378 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.9 t -144.77 137.16 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 111.305 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.83 -133.27 2.59 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.06 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.5 ptt180 -179.72 37.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.737 0.304 . . . . 0.0 111.564 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 174.19 77.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.355 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 5.7 p90 -170.08 134.96 1.3 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 0.0 111.796 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.445 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -107.36 139.24 14.9 Favored Glycine 0 N--CA 1.455 -0.059 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.463 ' HB3' HG21 ' B' ' 57' ' ' ILE . 79.0 p -161.11 165.08 30.17 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' B' ' 40' ' ' ALA . 13.6 m-85 -133.8 148.41 51.34 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.173 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 16.0 t -157.85 166.29 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.8 m -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.1 p80 -165.21 143.41 6.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.016 0.436 . . . . 0.0 112.049 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 148.9 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.821 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.1 p -59.13 153.94 17.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.455 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 10.9 mmpt? 65.21 39.16 5.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.616 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 78.3 m-70 -165.18 55.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.375 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 44.7 t80 -157.75 141.26 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.636 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.4 tt -160.58 137.93 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.248 0.547 . . . . 0.0 112.046 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -142.33 132.77 25.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.187 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.4 p90 -165.39 138.4 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.042 0.449 . . . . 0.0 111.958 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 54.2 m-85 -77.33 143.49 38.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.302 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 39.3 tp -170.36 143.44 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.02 40.81 91.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.43 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 83.8 mt-30 56.21 33.54 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 31.6 m -159.95 132.15 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 77' ' ' TYR . . . -74.55 130.15 39.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 83' ' ' ILE . 4.1 mp -106.45 140.79 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.0 tp -130.15 139.39 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.518 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 50.0 tp -159.9 136.47 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -176.26 129.28 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.236 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 18.1 ptpt -79.0 163.24 25.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.991 0.424 . . . . 0.0 111.487 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 53' ' ' THR . 47.2 t -143.66 132.03 22.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.497 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.842 0.353 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 t -59.56 133.91 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -178.77 139.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.419 ' NE ' ' O ' ' B' ' 4' ' ' ARG . 2.3 tmm_? 64.75 52.78 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.474 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -65.69 -119.59 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.194 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.446 ' HB3' ' HB2' ' B' ' 78' ' ' LEU . . . 67.27 128.26 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 111.701 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 19.1 m -101.53 138.08 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.416 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -85.73 149.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.279 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -140.94 -40.65 0.4 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.296 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -131.94 49.85 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.49 142.59 48.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -168.52 59.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 11.2 ptp -173.53 150.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.144 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -40.99 144.94 0.23 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.83 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.437 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 49.7 mt-10 -48.83 -47.19 42.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.087 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.451 ' OE2' ' HB2' ' B' ' 17' ' ' MET . 1.1 pp20? -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.175 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.451 ' HB2' ' OE2' ' B' ' 16' ' ' GLU . 46.5 ttm -71.72 -48.53 46.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.349 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.437 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.2 pt20 -65.92 -40.5 91.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.499 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -66.14 -38.02 87.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.729 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.6 -38.09 77.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.471 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -68.38 -44.54 74.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.102 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.442 ' HA ' ' CE2' ' B' ' 76' ' ' PHE . 53.1 t -65.95 -44.66 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.26 -42.48 83.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.086 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.51 -32.17 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.733 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.508 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.02 -40.16 78.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 109.598 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.0 m -59.52 -46.1 89.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.221 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -58.87 -42.06 88.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.953 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.441 ' HB3' ' CG2' ' B' ' 38' ' ' ILE . . . -56.55 -40.92 75.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.005 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' B' ' 33' ' ' ASN . 50.2 mt -63.66 -49.24 73.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 111.422 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -69.23 -30.63 68.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.315 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.79 -32.32 19.14 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.468 ' O ' ' CG ' ' B' ' 33' ' ' ASN . 3.7 m-85 -124.86 -37.09 2.49 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.468 ' CG ' ' O ' ' B' ' 32' ' ' TYR . 23.2 p30 53.12 44.84 29.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.067 0.46 . . . . 0.0 111.013 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.517 ' O ' HG13 ' B' ' 38' ' ' ILE . 45.1 mm -150.65 123.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.449 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -49.93 -45.15 50.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.138 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.474 ' HB2' ' HB3' ' C' ' 7' ' ' GLN . 0.8 OUTLIER -67.66 -48.93 65.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.703 -179.165 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -64.77 -44.11 91.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.364 . . . . 0.0 111.41 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 34' ' ' ILE . 68.2 mt -54.41 -54.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.909 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.42 68.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.872 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.422 ' HB3' ' CE1' ' A' ' 65' ' ' TYR . . . -67.54 -61.16 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -60.24 -49.14 78.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.018 -178.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.508 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 67.8 mt -57.66 -38.06 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.416 ' CE ' ' HB3' ' A' ' 65' ' ' TYR . 24.6 ttpp -58.58 -49.85 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.012 0.434 . . . . 0.0 110.622 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -64.37 -44.24 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.882 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.74 -52.37 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.325 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.433 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 12.1 m-85 -72.49 -41.15 66.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.448 ' OD1' ' HG3' ' B' ' 52' ' ' PRO . 4.7 t70 -57.4 -37.08 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.786 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -88.82 -39.63 13.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.772 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -74.21 -69.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.508 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 9.7 m-30 -76.29 -6.62 52.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 94.07 142.29 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 C-N-CA 123.081 0.552 . . . . 0.0 110.697 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.448 ' HG3' ' OD1' ' B' ' 47' ' ' ASP . 16.6 Cg_exo -65.12 167.2 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.419 2.079 . . . . 0.0 112.622 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 13.9 t -118.54 115.7 25.12 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.916 0.486 . . . . 0.0 110.742 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.721 ' CG ' ' HB3' ' B' ' 87' ' ' LYS . 22.5 m95 -87.92 134.85 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.348 0.594 . . . . 0.0 112.464 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.425 ' HD1' HG11 ' A' ' 66' ' ' VAL . 29.5 m-70 -105.0 128.77 53.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.218 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 77.6 m -119.53 134.03 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.547 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.492 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 2.9 mp -141.48 139.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.808 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 46.8 t -155.35 136.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 0.0 111.322 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.06 -138.55 3.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.839 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 6.7 ptp85 -169.03 33.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 29.0 t30 165.34 82.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.411 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.492 ' CE2' ' CG2' ' B' ' 57' ' ' ILE . 26.1 p90 -169.12 135.67 1.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -93.96 140.12 14.89 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.8 m -147.57 151.56 36.48 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -137.04 134.66 36.8 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.17 -1.377 . . . . 0.0 109.103 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.531 HG12 ' ND1' ' A' ' 55' ' ' HIS . 24.9 t -157.7 165.15 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.265 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.415 ' N ' HG13 ' B' ' 66' ' ' VAL . 93.8 m -118.15 151.1 38.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -163.75 150.88 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -62.31 143.84 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.01 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 67.7 p -58.86 150.05 25.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.744 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 64.82 35.54 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.461 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.1 m80 -157.07 69.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' B' ' 74' ' ' ILE . 8.1 t80 -170.93 146.15 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.063 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.475 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 8.7 tt -166.48 130.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -118.71 137.49 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' B' ' 22' ' ' VAL . 3.2 p90 -167.23 137.0 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.013 0.435 . . . . 0.0 112.17 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 8.6 m-85 -86.06 148.98 25.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' B' ' 6' ' ' ALA . 4.6 tt -157.14 136.24 11.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.483 . . . . 0.0 111.608 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' B' ' 80' ' ' GLN . . . 69.79 -82.66 0.3 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.483 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' B' ' 79' ' ' GLY . 71.4 mt-30 -161.8 33.37 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.805 0.335 . . . . 0.0 110.347 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.441 ' CG1' ' NH2' ' B' ' 60' ' ' ARG . 30.6 m -159.37 134.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -70.68 127.39 32.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.578 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.453 ' N ' HD12 ' B' ' 83' ' ' ILE . 4.7 mp -108.22 140.48 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.3 tp -136.06 135.41 39.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.775 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 55.3 tp -146.64 135.52 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.345 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.462 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.3 p90 -176.7 130.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.075 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.721 ' HB3' ' CG ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -105.73 171.07 7.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.284 0.564 . . . . 0.0 112.429 -179.053 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.4 t -143.06 136.11 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.703 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.388 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -158.37 136.39 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.567 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -76.06 120.57 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.9 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 66' ' ' VAL . 12.4 t -74.78 152.42 39.03 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.391 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.4 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -155.06 125.85 1.76 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.784 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.4 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.3 pp -161.39 144.08 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 0.0 112.259 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.474 ' HB3' ' HB2' ' B' ' 36' ' ' LYS . 17.1 pt20 -116.61 89.19 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.659 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.425 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 45.9 t -69.51 136.81 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.793 ' CB ' ' N ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.419 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 27.1 mmm180 -57.01 136.51 56.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.307 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.18 42.91 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.243 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -82.15 54.61 2.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -169.9 41.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.233 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.72 -48.15 51.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.244 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' C' ' 15' ' ' LYS . 2.6 mppt? -73.28 -35.92 66.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p -157.25 145.12 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.804 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -49.66 135.02 19.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.323 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.96 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 120.787 0.327 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -72.02 128.63 36.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.602 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.52 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.0 t70 -82.43 115.63 21.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.332 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.435 ' N ' ' O ' ' B' ' 66' ' ' VAL . 13.7 t -79.99 142.76 34.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.588 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.419 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -144.87 125.76 2.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.88 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.3 pp -162.56 149.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 111.93 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.488 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 26.7 pt20 -132.69 127.61 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 51.4 t -114.98 142.98 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -157.98 37.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -72.2 -40.33 67.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 64.14 44.37 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.417 ' N ' ' HD3' ' B' ' 60' ' ' ARG . 87.1 mt -76.94 53.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -59.1 135.36 57.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.753 0.311 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.04 -52.63 10.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.68 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -76.49 -52.56 9.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 111.245 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 52.8 m -64.85 -42.51 94.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 63.68 123.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 tttm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.009 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.79 0.329 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.1 p -61.77 134.33 56.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.74 45.2 13.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.521 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -176.4 127.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.265 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.521 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 55.6 tptt -172.55 -40.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . . . -44.43 129.51 6.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.987 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -95.67 136.9 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.361 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -76.52 134.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.793 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -115.83 -34.61 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -156.24 51.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.358 . . . . 0.0 111.342 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.8 141.29 53.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -157.69 74.82 0.76 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.317 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.461 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 61.1 mtt -156.27 -166.87 2.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.93 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.4 m -86.74 38.96 0.82 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.278 0.474 . . . . 0.0 112.278 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 65.31 -59.67 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -59.22 -41.36 88.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.37 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.461 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 63.3 mtt -60.51 -51.0 71.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.394 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' CB ' HD13 ' A' ' 74' ' ' ILE . 16.1 pt20 -61.21 -37.47 83.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.807 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -61.63 -41.62 97.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.08 -37.37 81.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.515 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 m -68.16 -42.85 79.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.923 0.392 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.2 t -65.52 -45.68 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.594 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.71 -42.17 78.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.039 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.12 -34.41 77.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.731 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -68.59 -39.85 80.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.374 0.607 . . . . 0.0 109.753 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.5 m -58.65 -45.49 89.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.155 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.42 -42.44 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.726 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' HB2' HD13 ' A' ' 42' ' ' ILE . . . -51.9 -46.6 64.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.658 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 66.2 mt -59.2 -52.75 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.25 0.548 . . . . 0.0 110.798 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.01 -31.36 72.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.93 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 98.2 mttt -78.9 -37.36 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.785 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 42.4 m-85 -145.82 -53.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 42.5 t30 62.5 32.32 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.468 . . . . 0.0 110.058 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.673 ' O ' ' N ' ' A' ' 36' ' ' LYS . 40.3 mm -101.02 25.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' N ' HD13 ' A' ' 38' ' ' ILE . 56.2 mt-10 55.76 -66.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.639 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.5 ttpm? -59.71 -54.2 49.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.325 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -55.19 -34.58 64.0 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.015 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.477 HD13 ' N ' ' A' ' 35' ' ' GLU . 2.0 mp -57.53 -59.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.618 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.56 68.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.071 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -66.02 -62.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -64.43 -47.56 78.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.742 -178.634 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 74.9 mt -55.73 -47.86 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.654 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.425 ' CE ' ' HB3' ' B' ' 65' ' ' TYR . 24.9 ttpp -59.08 -50.67 73.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -55.62 -44.44 77.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -57.84 -47.16 83.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.724 0.297 . . . . 0.0 111.218 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.484 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 36.3 m-85 -65.95 -43.37 88.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.2 m-20 -59.88 -42.66 94.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 111.326 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -77.04 -41.15 43.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.939 -179.352 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.8 -64.88 1.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.54 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 2.9 m-85 -79.81 -17.9 52.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.528 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.7 m120 95.29 141.87 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.606 0 C-N-CA 122.853 0.461 . . . . 0.0 110.249 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.408 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 20.5 Cg_endo -60.55 169.39 5.47 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.556 2.17 . . . . 0.0 112.899 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 13.0 t -117.37 112.73 21.11 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 111.289 0.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.658 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 21.5 m95 -88.38 134.35 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.471 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' HD1' HG13 ' B' ' 66' ' ' VAL . 36.6 m-70 -109.24 131.96 54.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.73 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 47.9 t -137.35 147.29 45.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.314 0.578 . . . . 0.0 112.291 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 41.3 mt -152.13 145.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.803 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.6 t -150.77 136.0 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 111.474 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.18 -134.35 2.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.007 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.4 ptt180 -174.27 39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.634 0.254 . . . . 0.0 111.634 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.532 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 1.0 OUTLIER 170.35 79.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.515 ' CD2' ' CD2' ' B' ' 62' ' ' PHE . 4.7 p90 -173.49 130.97 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -94.15 137.21 13.41 Favored Glycine 0 C--O 1.228 -0.267 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.421 ' HB3' HG23 ' B' ' 57' ' ' ILE . 83.3 p -144.63 147.19 32.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 117.914 0.857 . . . . 0.0 113.253 -178.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.448 ' CE1' ' HD2' ' B' ' 43' ' ' LYS . 3.6 t80 -127.67 133.83 49.62 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.609 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 24.9 t -155.87 168.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 96.1 m -118.54 146.47 44.54 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' C' ' 4' ' ' THR . 30.5 p80 -161.59 141.86 10.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.975 0.417 . . . . 0.0 111.944 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.24 150.48 45.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.764 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.8 p -58.79 151.54 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.859 0.361 . . . . 0.0 111.437 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.654 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.88 38.29 9.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.517 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.497 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 84.4 m-70 -164.79 53.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.7 t80 -162.91 147.37 11.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.252 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 7.8 tt -164.98 141.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.625 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -137.59 131.7 32.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.144 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.0 p90 -160.56 141.05 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.423 . . . . 0.0 111.867 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 5.7 m-85 -77.58 149.72 34.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 38.7 tp -170.0 140.61 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 111.536 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.6 41.63 74.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.443 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.407 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 73.1 mt-30 57.31 35.99 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.806 0.336 . . . . 0.0 110.97 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 27.1 m -159.18 133.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.94 129.9 39.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.34 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 51.7 mt -112.32 139.01 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.7 tp -127.86 141.74 51.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.8 tp -157.73 138.32 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.152 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.526 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 11.1 p90 179.24 131.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.504 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.64 170.38 9.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 111.78 -178.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.9 t -142.66 135.05 27.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.452 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.872 0.368 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.56 132.32 52.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -179.11 135.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.534 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 3.3 tmm_? 63.81 127.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.534 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.5 mmtt -149.26 -131.64 0.06 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.965 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . 64.3 130.72 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.219 -0.3 . . . . 0.0 111.385 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.493 ' CG2' ' HB2' ' B' ' 77' ' ' TYR . 27.7 m -87.02 141.03 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.589 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.464 HG12 ' HB3' ' B' ' 76' ' ' PHE . 21.6 mt -109.96 134.11 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 111.631 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.6 ' HE2' ' HA ' ' B' ' 9' ' ' LYS . 7.1 mmpt? -110.91 -36.94 5.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.361 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -132.36 143.71 50.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.48 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.55 140.17 22.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.952 0.406 . . . . 0.0 111.189 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -156.5 53.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 15.4 ptp -166.45 150.75 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.2 m -44.23 146.12 0.7 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.503 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.462 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 65.3 mm-40 -46.27 -42.33 14.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.581 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.471 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -63.04 -41.97 99.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.355 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.421 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 80.0 mtp -65.86 -47.8 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.015 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 16.6 pt20 -64.7 -38.27 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.437 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.3 pt20 -71.48 -39.5 70.85 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.418 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.423 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.7 t70 -64.44 -38.8 92.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 -44.07 90.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 109.972 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.41 ' HA ' ' CE2' ' B' ' 76' ' ' PHE . 51.2 t -65.41 -45.06 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.325 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' B' ' 19' ' ' GLN . 56.8 mt-10 -64.33 -45.27 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.555 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 96.7 m -61.23 -36.69 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.2 77.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.262 0.553 . . . . 0.0 109.848 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.6 m -60.98 -44.42 97.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.465 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -60.33 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.369 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.12 -41.88 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.406 ' CD2' HD11 ' B' ' 38' ' ' ILE . 51.1 mt -63.63 -53.35 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.58 -28.62 67.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.472 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.3 mttt -87.67 -18.55 29.3 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.513 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 56.7 m-85 -146.5 -39.57 0.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' B' ' 32' ' ' TYR . 73.9 m-80 69.33 48.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.833 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.518 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.1 mt -141.76 125.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -53.76 -52.13 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.575 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -57.16 -55.09 39.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.123 0.487 . . . . 0.0 111.32 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -50.47 -43.23 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.047 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.518 HG13 ' O ' ' B' ' 34' ' ' ILE . 96.8 mt -50.67 -47.66 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 111.538 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.53 -38.79 91.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.768 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.74 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.513 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 68.4 m-70 -64.0 -54.03 40.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.4 HD12 ' CG2' ' B' ' 38' ' ' ILE . 54.2 mt -59.03 -45.36 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.657 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.452 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 14.2 tmtt? -57.89 -53.56 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.052 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.31 -47.91 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.13 -46.98 72.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.6 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 25.6 m-85 -64.97 -41.81 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.478 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.2 m-20 -56.53 -37.21 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.166 0.507 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.502 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 3.4 tmtp? -72.78 -41.38 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.434 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -84.58 -61.38 1.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.0 m-85 -84.63 -18.89 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.2 t30 92.36 135.99 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.434 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 9.8 Cg_endo -52.96 169.31 0.39 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.858 2.372 . . . . 0.0 113.112 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.9 t -114.11 126.84 55.54 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.291 0.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.657 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 25.4 m95 -101.76 130.73 48.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.246 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 23.6 m-70 -111.03 141.67 44.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 45.6 t -146.77 144.29 29.27 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.466 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.493 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 2.4 mp -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.907 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' GLY . 59.5 t -156.87 133.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 110.985 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.39 -138.2 3.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -175.08 34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.633 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 1.0 OUTLIER 168.53 79.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.375 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.515 ' CD2' ' CD2' ' A' ' 62' ' ' PHE . 5.0 p90 -173.3 133.67 0.51 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.92 0.39 . . . . 0.0 111.793 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -82.43 138.63 18.65 Favored Glycine 0 C--O 1.228 -0.265 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.413 ' HB3' HD12 ' D' ' 6' ' ' ILE . 47.7 t -140.64 144.91 35.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.202 1.001 . . . . 0.0 113.596 -178.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 12.4 m-85 -137.44 132.94 34.12 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.154 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.678 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 32.2 t -157.21 161.71 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-O 120.716 0.293 . . . . 0.0 111.77 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.465 ' CG2' ' HG2' ' D' ' 2' ' ' LYS . 53.7 m -113.27 143.05 45.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.412 ' O ' ' HG3' ' D' ' 2' ' ' LYS . 26.7 p80 -157.27 137.45 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 112.137 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -53.99 140.5 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.098 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -54.01 149.61 9.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.418 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 65.48 35.0 7.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.444 ' HB3' ' HG3' ' B' ' 87' ' ' LYS . 62.7 m80 -157.85 69.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.595 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.49 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 6.7 t80 -173.42 147.98 1.54 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.254 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 7.9 tt -166.33 134.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.413 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -120.61 137.11 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.73 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.464 ' HB3' HG12 ' B' ' 8' ' ' ILE . 1.7 p90 -168.47 134.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.854 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.493 ' HB2' ' CG2' ' B' ' 7' ' ' VAL . 69.0 m-85 -80.63 147.4 30.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.492 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 39.6 tp -165.45 141.42 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.241 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 41.71 81.03 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.391 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 56.12 36.11 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.789 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -158.61 131.86 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.823 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.73 142.8 53.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.387 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.1 mt -132.79 134.69 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.464 ' CD1' ' CZ ' ' B' ' 73' ' ' PHE . 46.4 tp -136.02 142.25 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' B' ' 46' ' ' PHE . 63.4 tp -147.06 146.19 29.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 8.2 p90 -177.71 139.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.742 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.657 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -106.3 157.11 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.435 . . . . 0.0 111.612 -179.384 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 43.7 t -125.63 134.55 51.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.748 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.483 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -158.04 150.48 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.485 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.516 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.6 p30 -73.37 129.97 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.684 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.453 ' HB ' ' CD2' ' A' ' 68' ' ' HIS . 10.6 t -84.05 135.06 34.57 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.448 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.401 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -129.35 120.52 3.22 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.734 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.0 pp -162.57 155.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.994 0.425 . . . . 0.0 111.639 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.462 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 25.6 pt20 -154.75 119.04 4.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.942 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 44.5 t -81.52 133.25 29.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.802 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.115 -0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.51 ' NE ' ' HA ' ' C' ' 10' ' ' ARG . 13.7 mmp_? -63.75 133.63 53.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.174 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -90.62 43.48 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.004 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.8 48.53 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.296 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -69.81 140.62 53.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.387 . . . . 0.0 111.15 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.14 -50.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.035 -0.603 . . . . 0.0 111.783 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' C' ' 16' ' ' SER . 60.3 mttp -86.91 52.36 2.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' C' ' 15' ' ' LYS . 35.0 t 70.32 -61.27 0.47 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.701 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -87.5 133.31 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.754 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.025 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' D' ' 2' ' ' LYS . 0.0 OUTLIER -170.62 132.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.373 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.678 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 -164.25 111.53 1.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.443 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.468 ' N ' ' O ' ' B' ' 66' ' ' VAL . 15.0 t -70.52 146.57 50.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.402 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -146.78 126.47 2.46 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.105 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' D' ' 6' ' ' ILE . 2.6 pp -160.11 142.59 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 111.712 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -113.95 90.34 3.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.111 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 59.6 t -69.58 141.38 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.9 t70 -171.81 54.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.647 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.415 ' HD2' ' HB2' ' B' ' 60' ' ' ARG . 48.3 mmm-85 61.67 48.27 5.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -76.65 48.8 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.489 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.03 52.06 2.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.714 0.292 . . . . 0.0 111.294 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' D' ' 15' ' ' LYS . 56.2 m-20 -158.03 143.06 16.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.783 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.14 64.05 0.15 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.839 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' D' ' 13' ' ' ASP . 14.5 mmmm 64.32 36.35 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' D' ' 17' ' ' HIS . 47.2 m -86.05 53.08 2.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.799 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' D' ' 16' ' ' SER . 20.2 m80 71.36 -49.59 0.68 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.566 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.825 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtm . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.849 0.357 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.39 133.85 56.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -61.97 134.59 56.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -179.65 137.69 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.594 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -177.78 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.058 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . -51.93 128.01 22.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.709 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.8 m -90.25 138.79 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.573 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.8 mp -78.49 147.27 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 31.2 mmmt -132.36 -37.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.619 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -147.58 50.92 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 111.673 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.65 144.35 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.574 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -163.6 57.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.339 . . . . 0.0 111.577 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 ptp -167.97 -174.75 2.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -58.25 143.61 43.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.3 pt-20 -53.45 -46.04 69.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.369 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.4 -42.63 99.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.433 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 66.2 mtt -60.2 -50.31 74.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.799 0.333 . . . . 0.0 111.265 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 15.8 pt20 -63.18 -39.86 95.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 96.6 mm-40 -66.63 -41.45 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.549 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.78 -36.38 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.568 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.5 t -67.95 -42.6 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.54 -47.69 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.58 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.02 -43.64 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.952 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.4 t -63.73 -33.52 75.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.455 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -69.24 -39.24 78.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 109.707 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.7 m -57.67 -48.51 79.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.098 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.14 -36.28 79.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.566 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -57.1 -39.2 74.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.013 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 58.8 mt -70.07 -45.73 66.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.976 0.417 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.86 -33.55 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.295 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.31 -37.12 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.255 0.55 . . . . 0.0 110.491 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.595 ' C ' ' H ' ' A' ' 34' ' ' ILE . 6.2 m-85 -135.78 85.33 2.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.974 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -67.65 24.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.495 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.595 ' H ' ' C ' ' A' ' 32' ' ' TYR . 60.9 mt -114.61 131.58 66.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.34 -51.98 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.659 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 3.7 ttpm? -59.46 -56.33 23.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.124 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 56.5 m-20 -51.06 -43.19 60.93 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.482 HG23 HD12 ' A' ' 42' ' ' ILE . 65.8 mt -49.1 -53.5 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.091 0.472 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -65.89 -28.11 68.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.941 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.77 -60.68 2.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -63.1 -47.13 84.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.556 -178.797 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.482 HD12 HG23 ' A' ' 38' ' ' ILE . 82.2 mt -57.84 -46.1 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.741 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -58.87 -51.09 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.647 -179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 68.0 mttm -54.23 -44.38 71.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 53.0 mm-40 -57.16 -50.72 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.682 0.277 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.528 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.8 m-85 -66.36 -43.99 84.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 111.467 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 60.7 t0 -54.11 -41.98 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -76.72 -42.63 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.952 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 66.7 mttm -79.01 -70.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.564 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 7.0 m-30 -73.26 -14.57 61.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.74 146.36 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 C-N-CA 122.959 0.503 . . . . 0.0 110.548 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.439 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 37.0 Cg_endo -67.71 170.18 14.48 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.33 2.02 . . . . 0.0 112.909 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -114.2 126.02 54.59 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 122.626 0.37 . . . . 0.0 110.873 -0.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 24.3 m95 -99.08 135.22 40.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.313 0.578 . . . . 0.0 112.449 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 24.2 m-70 -115.03 134.08 55.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.9 t -137.54 140.74 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 112.428 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.478 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 2.2 mp -132.66 151.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -155.02 134.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.256 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.27 -134.52 2.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.146 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.0 ptt85 -178.53 38.01 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.668 0.271 . . . . 0.0 111.438 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 165.07 81.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.129 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.478 ' CZ ' HG23 ' A' ' 57' ' ' ILE . 4.0 p90 -170.8 136.85 1.21 Allowed 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.18 143.3 16.5 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.9 m -159.09 149.63 19.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.472 ' CE1' ' HB2' ' C' ' 3' ' ' ASP . 4.2 t80 -125.99 135.55 51.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.543 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' C' ' 4' ' ' THR . 20.4 t -154.42 164.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.586 0.232 . . . . 0.0 111.514 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 90.2 m -117.27 153.67 32.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 25.9 p80 -163.86 142.69 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 112.077 -178.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.82 144.89 42.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.96 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.0 p -55.39 150.51 11.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.237 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 11.0 mmpt? 62.38 38.58 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.21 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.445 ' CE1' ' HD3' ' A' ' 87' ' ' LYS . 90.9 m-70 -158.51 56.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.622 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CE1' ' OG1' ' C' ' 4' ' ' THR . 32.9 t80 -155.69 140.55 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.994 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.8 tt -165.27 141.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.306 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -139.84 136.11 33.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.872 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 9.0 p90 -164.67 139.17 5.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.142 0.496 . . . . 0.0 112.17 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.8 m-85 -79.43 153.23 29.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 33.5 tp -158.68 131.6 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.008 0.433 . . . . 0.0 112.019 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.95 -65.57 0.19 Allowed Glycine 0 C--N 1.333 0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.02 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 19.0 pt20 178.95 37.23 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.402 . . . . 0.0 110.028 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 27.3 m -158.91 137.52 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.9 137.89 52.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.015 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.7 mt -121.2 132.26 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.0 tp -128.63 139.83 52.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.6 tp -152.39 139.19 18.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.699 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 55' ' ' HIS . 16.5 p90 -172.53 133.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.325 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.529 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 21.0 ptmt -102.59 151.47 22.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 111.048 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.1 t -126.01 130.84 51.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.751 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.465 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' B' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.748 0.308 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.3 p -60.29 133.98 56.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.53 139.53 57.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 1.3 mpp_? 63.32 125.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.949 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -72.89 -31.88 64.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.322 0.582 . . . . 0.0 110.035 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' B' ' 77' ' ' TYR . . . -55.07 134.46 49.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.178 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.9 m -105.63 138.18 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.282 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.6 mp -81.46 145.05 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.842 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -131.26 -35.48 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.714 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -144.81 54.24 1.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.893 0.378 . . . . 0.0 111.472 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.69 144.85 30.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -167.23 59.38 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.374 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 50.2 ttp -175.19 163.52 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.711 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.5 m -43.05 138.13 2.21 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.645 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.47 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.0 mt-10 -50.65 -43.98 57.36 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.465 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.348 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 65.1 mtt -66.41 -45.37 80.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.707 0.289 . . . . 0.0 111.259 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.1 pt20 -66.43 -36.98 84.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.404 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.1 pt20 -71.69 -40.88 69.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.795 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.61 -37.06 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.858 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -66.63 -40.91 88.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.88 0.372 . . . . 0.0 110.339 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.419 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 64.0 t -65.2 -49.86 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.689 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.3 -41.15 90.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.864 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 44.9 t -60.94 -32.88 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.545 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.516 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -70.37 -40.86 73.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.198 0.523 . . . . 0.0 109.955 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.2 m -59.95 -44.62 94.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.179 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -59.63 -42.44 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.89 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.424 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . . . -54.09 -47.23 71.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.169 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.405 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 61.0 mt -60.82 -44.58 96.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.86 -33.76 76.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.736 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' CD2' ' B' ' 32' ' ' TYR . 7.3 ptpp? -85.8 -38.86 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.434 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 48.1 m-85 -119.9 -43.91 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.66 45.02 3.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.959 0.409 . . . . 0.0 110.174 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.539 ' O ' HG13 ' B' ' 38' ' ' ILE . 44.8 mm -147.1 116.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' B' ' 35' ' ' GLU . 0.8 OUTLIER -42.98 -41.11 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.099 -179.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -62.09 -56.41 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.383 . . . . 0.0 111.337 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -60.68 -40.92 93.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.001 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.539 HG13 ' O ' ' B' ' 34' ' ' ILE . 90.2 mt -48.18 -59.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.935 0.398 . . . . 0.0 111.574 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -23.07 67.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.15 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.433 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -66.51 -63.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.512 ' HA ' ' HD3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -67.43 -42.62 82.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.747 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 82.9 mt -59.73 -47.32 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.653 0.263 . . . . 0.0 111.503 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -62.57 -52.02 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.868 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.512 ' HD3' ' HA ' ' B' ' 41' ' ' HIS . 20.9 ptmt -58.44 -40.18 81.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -58.69 -52.49 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.605 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.553 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 47.8 m-85 -65.13 -45.58 84.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 0.0 110.788 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' B' ' 52' ' ' PRO . 9.6 t0 -51.04 -39.45 55.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -80.8 -42.85 21.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.0 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -75.09 -58.02 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.56 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.9 m-85 -85.85 -12.62 50.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 91.81 143.61 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.414 0 C-N-CA 122.838 0.455 . . . . 0.0 110.336 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.45 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 20.8 Cg_endo -60.99 168.49 7.26 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.44 2.093 . . . . 0.0 112.696 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.431 HG22 ' CE1' ' B' ' 55' ' ' HIS . 12.5 t -117.17 125.96 52.03 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 122.925 0.49 . . . . 0.0 110.961 0.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.553 ' CE2' ' HB3' ' B' ' 46' ' ' PHE . 25.7 m95 -97.83 148.83 23.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.013 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.431 ' CE1' HG22 ' B' ' 53' ' ' THR . 11.7 m-70 -134.0 138.51 45.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.171 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 83.3 m -143.87 144.46 31.76 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.43 ' N ' ' CD1' ' B' ' 57' ' ' ILE . 2.3 mp -132.33 144.32 37.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.47 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 49.0 t -154.19 136.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.907 0.384 . . . . 0.0 111.645 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.09 -138.07 4.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.418 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 85.8 mtm180 -159.42 27.53 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.326 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 10.1 t-20 175.73 77.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.451 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 62' ' ' PHE . 11.4 p90 -156.36 138.98 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.455 0.645 . . . . 0.0 112.213 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.599 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -120.38 136.23 11.4 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.474 ' HB3' HG22 ' A' ' 57' ' ' ILE . 79.6 p -156.6 156.65 33.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.1 t80 -125.53 133.21 52.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 113.8 -1.545 . . . . 0.0 107.778 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' D' ' 4' ' ' THR . 14.0 t -153.24 163.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.723 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.426 ' N ' HG13 ' B' ' 66' ' ' VAL . 92.4 m -115.94 154.3 30.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.4 p80 -164.77 143.13 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.036 0.446 . . . . 0.0 111.685 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -54.5 141.94 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.945 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -53.75 151.41 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.341 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 62.85 39.46 10.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -159.3 69.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.588 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.506 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 29.3 t80 -163.82 143.75 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.072 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.445 HD13 HG21 ' B' ' 74' ' ' ILE . 10.5 tt -163.87 142.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.632 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -141.62 135.55 30.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.434 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' B' ' 22' ' ' VAL . 7.0 p90 -168.64 143.05 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.068 0.461 . . . . 0.0 111.765 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.556 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 4.5 m-85 -82.82 152.11 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.351 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.485 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 39.4 tp -170.12 140.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.953 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.01 38.43 60.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 58.42 39.16 25.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 0.0 111.197 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.416 HG11 ' HD3' ' B' ' 60' ' ' ARG . 31.6 m -156.4 133.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.944 0.402 . . . . 0.0 111.081 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.97 134.23 48.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.459 HD11 HG21 ' B' ' 83' ' ' ILE . 58.2 mt -120.37 142.18 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.0 tp -138.67 142.62 39.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -158.27 145.2 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.506 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 9.3 p90 179.89 136.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.8 ptmt -101.95 170.23 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 42.3 t -147.87 132.22 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.777 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.48 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 81.8 mtp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.481 ' HB3' ' NZ ' ' C' ' 2' ' ' LYS . 8.5 mtpm? -155.54 130.81 9.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.1 p30 -81.89 123.09 28.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.149 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.45 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 10.9 t -88.75 144.1 26.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.927 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.12 135.56 7.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.635 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -151.21 170.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.45 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.52 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.3 pt20 -162.62 69.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -69.8 143.25 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.797 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.139 -0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -69.85 137.01 51.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -75.53 53.16 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.186 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' C' ' 12' ' ' LEU . 35.7 tp -82.91 47.05 1.16 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 111.211 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -157.68 126.95 5.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.759 0.314 . . . . 0.0 110.541 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . 0.452 ' O ' ' CE1' ' C' ' 17' ' ' HIS . . . -76.88 -51.75 6.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.644 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' C' ' 16' ' ' SER . 35.3 mtmm -72.1 138.87 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.27 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' C' ' 15' ' ' LYS . 36.8 m 74.46 -41.32 0.47 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . 0.452 ' CE1' ' O ' ' C' ' 14' ' ' GLY . 25.0 m80 66.59 128.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.304 . . . . 0.0 110.561 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.928 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.751 0.31 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.46 ' HB2' ' CE1' ' B' ' 68' ' ' HIS . 75.0 mmtt -73.17 133.9 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.474 ' HB2' ' CE1' ' B' ' 65' ' ' TYR . 11.9 p-10 -82.22 116.25 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.731 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.468 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 14.9 t -85.39 146.68 26.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.85 128.41 2.78 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.372 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 2.2 pp -161.47 145.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.423 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.599 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 23.0 pt20 -137.56 85.39 2.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.985 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.87 141.24 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -157.49 45.53 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 0.0 110.853 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 57.11 42.01 26.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.045 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -86.87 38.71 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.41 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.2 41.84 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.408 . . . . 0.0 110.63 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -179.88 138.2 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.598 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' D' ' 15' ' ' LYS . . . -82.37 29.12 3.25 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.493 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . 0.493 ' O ' ' CD2' ' D' ' 17' ' ' HIS . 25.9 ttpp 173.58 136.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -64.32 127.54 31.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.805 0.336 . . . . 0.0 111.048 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' D' ' 15' ' ' LYS . 0.3 OUTLIER -178.99 -34.26 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.858 179.279 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.952 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.684 0.278 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.2 m -76.21 53.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.416 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.43 137.14 57.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.8 OUTLIER -60.67 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.764 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.1 tptt 179.85 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.901 0.381 . . . . 0.0 110.948 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . . . -43.87 127.55 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.058 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 26.4 m -100.21 136.26 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 121.029 0.442 . . . . 0.0 111.307 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -97.76 142.85 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.85 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 14.8 ptmm? -148.03 23.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.819 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 47.0 m-80 -171.47 44.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.7 136.91 57.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -158.71 54.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.1 ttp -172.57 164.56 5.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.396 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.405 ' HB2' ' HG3' ' A' ' 17' ' ' MET . 64.4 m -42.01 137.74 1.75 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.422 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 94.6 mt-10 -51.06 -48.63 61.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.745 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.52 -42.86 99.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.405 ' HG3' ' HB2' ' A' ' 14' ' ' SER . 89.4 mtp -62.83 -48.19 80.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.183 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 17.3 pt20 -65.58 -37.73 87.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.857 0.36 . . . . 0.0 110.533 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -64.97 -40.45 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.54 -37.73 83.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -67.11 -42.61 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.878 0.37 . . . . 0.0 110.095 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 47.3 t -65.23 -48.08 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.427 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.82 -41.27 87.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.87 -31.86 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.81 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.506 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -69.95 -41.25 74.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.218 0.532 . . . . 0.0 109.956 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.0 m -60.0 -44.5 94.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.301 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.59 -41.01 93.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.045 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . . . -55.55 -46.23 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.316 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 61.7 mt -62.18 -46.12 90.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.522 . . . . 0.0 111.064 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.15 -33.87 76.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.651 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HE3' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -86.42 -38.17 17.62 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.115 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CE2' ' HE3' ' A' ' 31' ' ' LYS . 40.0 m-85 -119.54 -47.23 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 65.08 46.81 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.911 0.386 . . . . 0.0 110.418 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.6 mt -149.55 134.6 10.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -44.93 -59.84 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.936 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' D' ' 7' ' ' GLN . 35.7 ttpt -55.09 -57.49 11.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.225 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 57.4 m-20 -51.23 -44.52 61.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 34' ' ' ILE . 87.0 mt -51.35 -57.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.04 0.447 . . . . 0.0 111.1 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.7 -21.33 65.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.03 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' CB ' ' CE2' ' B' ' 65' ' ' TYR . . . -67.6 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -41.73 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.511 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 76.6 mt -61.22 -47.88 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.509 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' NZ ' ' HB3' ' B' ' 65' ' ' TYR . 35.2 ttpt -61.21 -52.72 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.714 0.292 . . . . 0.0 110.873 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.12 -42.84 81.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.536 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.28 -49.34 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.259 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.492 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.2 m-85 -65.25 -42.98 92.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.695 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 63.4 m-20 -56.4 -36.18 68.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 0.0 111.348 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -82.7 -39.87 21.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.85 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -59.27 2.85 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.541 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 5.6 m-85 -87.52 -17.67 31.54 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.541 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.7 m120 96.63 144.54 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 122.952 0.501 . . . . 0.0 110.331 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 27.4 Cg_exo -62.46 167.13 11.88 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.481 2.121 . . . . 0.0 112.968 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 14.8 t -116.25 126.46 53.61 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 0.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.53 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.9 m95 -99.81 134.78 42.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.332 0.587 . . . . 0.0 111.997 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 19.7 m-70 -112.16 133.6 54.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.98 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 50.0 t -136.48 141.8 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 0.0 112.233 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 2.5 mp -134.68 149.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.126 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.6 t -155.47 134.98 3.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.061 0.457 . . . . 0.0 111.413 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.16 -136.18 3.59 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.216 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.0 ptt85 -179.34 40.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.417 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 169.11 74.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.233 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.497 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 32.4 p90 -171.54 136.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.994 0.426 . . . . 0.0 111.903 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.75 126.71 7.69 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.4 ' HB2' HD11 ' C' ' 6' ' ' ILE . 48.1 m -114.02 144.32 43.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.509 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 8.3 t80 -151.57 122.46 7.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.542 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 46.8 t -157.0 165.04 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 87.2 m -112.45 149.36 32.7 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' C' ' 2' ' ' LYS . 26.4 p80 -161.51 146.84 13.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.264 0.554 . . . . 0.0 112.307 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -59.38 141.77 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.98 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.0 p -55.1 151.96 8.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.444 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.655 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.76 39.1 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.28 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 92.2 m-70 -160.62 62.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.81 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 34.3 t80 -157.23 140.95 15.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.298 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 18' ' ' GLN . 9.2 tt -164.44 139.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.595 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.525 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 53.4 t80 -136.13 136.55 40.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.604 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.2 p90 -165.27 139.85 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 111.785 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.6 m-85 -75.28 148.68 39.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.77 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.489 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 33.5 tp -170.43 139.68 1.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.902 0.382 . . . . 0.0 111.531 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.99 42.74 87.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.508 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER 54.11 35.21 21.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 110.686 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.7 m -158.28 134.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.605 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.412 ' HB3' ' CE1' ' A' ' 77' ' ' TYR . . . -70.78 131.59 44.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.397 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -116.44 134.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.484 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.7 tp -129.13 143.42 50.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.4 tp -153.65 144.44 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.478 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 10.5 p90 178.61 133.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 13.5 ptmm? -98.35 170.34 8.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.063 0.458 . . . . 0.0 111.764 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -146.7 132.36 18.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.701 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.472 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.734 0.302 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.22 133.51 56.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.421 ' O ' ' HD2' ' B' ' 4' ' ' ARG . 2.9 p30 -178.77 138.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.805 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.467 ' C ' ' HD2' ' B' ' 4' ' ' ARG . 5.8 ppt_? 43.78 -162.1 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.462 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.479 ' NZ ' ' HB3' ' B' ' 5' ' ' LYS . 4.2 mmmp? -158.06 -129.43 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.49 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . 64.3 133.55 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 120.821 0.343 . . . . 0.0 111.494 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 20.6 m -95.3 136.24 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.417 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.416 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -80.63 132.04 32.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.75 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -109.44 -34.15 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.053 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -156.24 54.29 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.217 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.403 ' CB ' HG23 ' B' ' 8' ' ' ILE . . . -57.01 143.12 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -175.16 62.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.723 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.761 ' O ' ' HB2' ' B' ' 17' ' ' MET . 52.8 ttp -171.2 56.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.544 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 38.3 t 61.26 135.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 111.461 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' B' ' 19' ' ' GLN . 56.1 mt-10 -56.7 -51.34 69.19 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.897 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 0.0 110.951 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.761 ' HB2' ' O ' ' B' ' 13' ' ' MET . 87.8 mtp -65.0 -50.63 65.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' B' ' 14' ' ' SER . 18.0 pt20 -64.58 -37.08 86.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.545 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' B' ' 15' ' ' GLU . 78.8 mt-30 -65.38 -39.97 92.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.802 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.401 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.2 t70 -64.64 -39.61 94.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -65.39 -41.67 93.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' B' ' 6' ' ' ALA . 64.6 t -64.39 -47.12 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.28 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.77 -47.22 81.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 86.8 m -62.22 -28.37 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.09 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -71.77 -42.43 67.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 109.941 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -59.88 -46.64 88.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.88 -46.75 88.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' B' ' 38' ' ' ILE . . . -54.24 -34.71 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.201 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.31 -52.95 27.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.502 ' HG3' ' CD ' ' B' ' 31' ' ' LYS . 12.3 pt-20 -70.64 -26.28 63.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.728 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.502 ' CD ' ' HG3' ' B' ' 30' ' ' GLU . 0.4 OUTLIER -85.16 -37.67 19.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.767 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.411 ' N ' ' CD1' ' B' ' 32' ' ' TYR . 2.5 m-85 -121.11 -47.23 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 111.669 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' B' ' 33' ' ' ASN . 22.1 t-20 65.57 45.88 2.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.205 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.534 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.0 mt -152.29 122.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.503 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -47.11 -48.25 23.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.127 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.52 -56.66 15.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.169 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -57.06 -47.72 80.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 34' ' ' ILE . 89.0 mt -47.85 -52.81 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.931 0.396 . . . . 0.0 111.721 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.75 -25.09 68.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.97 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -70.11 -58.88 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.448 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -65.59 -46.52 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.504 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 66.8 mt -61.67 -42.58 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.324 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 81.7 tttt -59.86 -51.85 67.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -56.68 -44.54 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.04 -46.57 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.474 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.3 m-85 -66.68 -40.78 88.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.543 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 57.8 m-20 -57.27 -43.53 83.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 0.0 110.867 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.8 77.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.514 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -79.44 -70.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.553 ' O ' ' HB3' ' B' ' 51' ' ' ASN . 7.3 m-30 -73.84 -14.39 61.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.553 ' HB3' ' O ' ' B' ' 50' ' ' TYR . 23.8 t-20 93.11 140.31 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 122.78 0.432 . . . . 0.0 110.752 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.98 169.28 12.14 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.437 2.091 . . . . 0.0 112.631 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.431 HG22 ' CE1' ' B' ' 55' ' ' HIS . 11.9 t -116.55 127.52 54.59 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 122.931 0.492 . . . . 0.0 110.771 0.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 27.0 m95 -94.75 126.41 40.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 112.356 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.48 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 26.7 m-70 -98.83 141.65 31.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.024 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.2 t -148.29 148.6 30.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 112.806 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 58.4 mt -151.39 142.62 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.395 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 45.0 t -150.01 142.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.071 0.463 . . . . 0.0 111.607 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.91 -127.63 1.28 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -174.82 38.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.771 -0.253 . . . . 0.0 111.388 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 164.35 82.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.847 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.49 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 15.2 p90 -164.66 133.89 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.243 0.544 . . . . 0.0 111.913 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -109.35 136.33 13.49 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.472 ' HB3' HG22 ' A' ' 57' ' ' ILE . 80.5 p -161.76 159.44 27.14 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.455 ' CE2' ' CB ' ' A' ' 40' ' ' ALA . 25.7 m-85 -126.97 142.04 51.65 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 114.046 -1.433 . . . . 0.0 109.443 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 24.9 t -155.56 166.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.4 m -112.97 152.4 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.438 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.6 p80 -161.44 140.31 9.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.139 0.495 . . . . 0.0 111.661 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.401 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 17.7 tp10 -56.43 160.45 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.292 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.0 p -55.47 141.91 34.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.907 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.514 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 60.81 21.97 12.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.623 179.47 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 52.1 m170 -124.65 69.79 1.11 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.713 0.292 . . . . 0.0 110.38 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.535 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 19.7 t80 -159.88 138.08 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.406 ' CD1' ' HB2' ' B' ' 18' ' ' GLN . 8.6 tt -160.59 141.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.179 0.514 . . . . 0.0 111.706 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.407 ' OH ' ' CG2' ' D' ' 8' ' ' VAL . 4.4 t80 -145.63 136.96 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.313 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.9 p90 -163.93 140.59 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.053 0.454 . . . . 0.0 111.879 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 14.2 m-85 -81.11 144.52 31.63 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.49 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 43.8 tp -170.4 142.09 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 111.598 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.0 40.89 75.3 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.573 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 54.63 37.47 28.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 28.5 m -157.88 132.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.13 135.06 46.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.189 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.436 HD13 HG23 ' B' ' 83' ' ' ILE . 55.4 mt -118.77 141.3 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 63.0 tp -136.26 140.39 43.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 62.5 tp -154.44 145.5 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.535 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 13.0 p90 178.48 130.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.4 ptmm? -93.06 170.41 9.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.481 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -151.55 133.69 15.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.555 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.498 ' CE ' ' HA ' ' C' ' 1' ' ' MET . 10.2 mmt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.684 0.278 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 47.0 mmtm -79.39 135.05 36.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.091 0.472 . . . . 0.0 111.266 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.542 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 22.5 m-20 -102.44 113.06 26.08 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.628 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' VAL . 42.5 m -73.18 144.44 46.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.154 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.466 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -157.82 123.96 1.34 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.083 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.7 pp -162.24 142.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.102 0.477 . . . . 0.0 111.721 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' C' ' 7' ' ' GLN . 22.2 pt20 -97.41 94.64 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.317 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.423 ' CG2' ' CD1' ' C' ' 6' ' ' ILE . 47.7 t -69.98 140.06 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.798 ' CB ' ' N ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.945 -0.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' C' ' 11' ' ' ASP . 0.0 OUTLIER -64.07 125.67 25.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . 0.479 ' N ' ' HD3' ' C' ' 10' ' ' ARG . 2.9 p30 -171.45 41.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' C' ' 12' ' ' LEU . 4.5 mp -87.51 47.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.054 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.84 129.88 11.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.731 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.73 39.44 3.09 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.952 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' C' ' 16' ' ' SER . 22.1 pttp 179.23 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' C' ' 15' ' ' LYS . 57.0 m -67.59 -42.91 81.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.797 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 36.8 m170 62.9 130.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.921 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.423 ' O ' ' CD2' ' B' ' 68' ' ' HIS . 54.3 mtpt -157.04 133.38 9.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.53 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 2.1 p30 -80.05 121.8 25.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.985 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.438 ' HB ' ' CD2' ' B' ' 68' ' ' HIS . 15.3 t -83.97 146.84 27.79 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.422 ' HA3' ' CE1' ' B' ' 65' ' ' TYR . . . -149.79 131.16 3.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.228 -0.987 . . . . 0.0 112.369 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 pp -160.28 138.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.09 0.471 . . . . 0.0 111.937 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 22.3 pt20 -117.02 76.73 1.06 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.534 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.407 ' CG2' ' OH ' ' B' ' 75' ' ' TYR . 43.7 t -69.46 138.42 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -172.31 50.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -62.72 -45.55 92.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 58.05 51.6 8.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.235 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' D' ' 12' ' ' LEU . 2.7 pt? -75.35 45.88 0.31 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.965 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.37 137.3 58.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.805 0.336 . . . . 0.0 110.724 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.59 50.91 2.57 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.462 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . 0.433 ' O ' ' OG ' ' D' ' 16' ' ' SER . 62.9 tttp -179.35 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.889 0.345 . . . . 0.0 110.969 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' D' ' 15' ' ' LYS . 66.3 m -172.73 132.82 0.57 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -179.36 -46.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.765 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.899 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.759 0.314 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.7 m -60.08 135.22 57.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.82 130.08 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -59.5 122.09 13.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -71.74 -47.23 55.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.289 -179.715 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 5' ' ' LYS . . . 53.07 72.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.337 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.497 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 34.0 m -70.6 140.74 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.693 0.283 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' A' ' 76' ' ' PHE . 20.4 mt -125.67 137.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.077 0.465 . . . . 0.0 112.142 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -113.17 -52.49 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.909 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -101.64 143.99 30.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.129 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.75 51.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.305 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.42 57.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.981 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 53.5 ttp -165.68 160.96 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.237 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -44.38 141.74 1.79 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.607 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.4 pt-20 -53.89 -47.28 71.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.861 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 12.5 pt-20 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.247 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.411 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 64.7 mtt -61.96 -48.42 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 15.2 pt20 -63.75 -39.59 94.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -66.7 -39.55 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.678 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -63.57 -35.61 81.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.683 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -67.64 -44.28 78.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.902 0.382 . . . . 0.0 110.178 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.66 -46.89 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.655 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.24 -44.18 76.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.201 0.524 . . . . 0.0 110.118 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.6 t -65.71 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.729 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -69.75 -38.12 76.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 109.819 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.2 m -60.59 -48.44 81.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.314 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 84.9 mt-30 -58.7 -40.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.91 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HB1' HG12 ' A' ' 38' ' ' ILE . . . -55.39 -44.91 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.185 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.3 -49.57 76.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 pt-20 -68.74 -30.13 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -83.24 -34.11 25.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.884 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -128.28 -45.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.741 -0.384 . . . . 0.0 112.009 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 66.51 45.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.507 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.3 mt -151.25 124.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 11.7 pm0 -45.73 -44.26 13.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.717 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 16.7 ttpp -66.78 -53.31 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.0 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.455 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 29.1 m-20 -56.0 -45.22 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.383 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 34' ' ' ILE . 89.8 mt -51.87 -52.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -65.38 -28.88 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.173 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -61.21 -48.95 79.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.255 -178.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.521 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 65.0 mt -58.66 -39.41 76.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 3.3 tppp? -58.14 -52.44 65.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.32 -41.21 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.456 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.0 mm-40 -56.34 -50.37 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 111.164 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.43 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.3 m-85 -69.19 -46.41 67.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -55.31 -40.76 71.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 111.252 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -75.42 -42.7 52.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.172 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.0 mtpt -78.48 -70.27 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 6.9 m-30 -74.0 -14.36 61.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.8 m120 90.92 143.98 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 123.329 0.393 . . . . 0.0 110.364 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.459 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 38.0 Cg_endo -66.12 171.86 9.54 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.416 2.077 . . . . 0.0 112.798 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 12.3 t -115.46 123.09 47.71 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 122.649 0.379 . . . . 0.0 110.959 0.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.603 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.9 m95 -93.51 137.67 32.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.054 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.457 ' HD1' HG11 ' B' ' 66' ' ' VAL . 27.1 m-70 -111.38 134.55 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 46.5 t -134.47 147.27 50.35 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 40.7 mm -147.06 138.1 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.294 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 43.9 t -152.5 135.44 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.713 0.292 . . . . 0.0 111.228 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' O ' HG21 ' A' ' 81' ' ' VAL . . . 177.57 -140.66 4.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.753 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 58.9 mtt85 -159.33 36.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.482 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 19.5 t30 165.94 82.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.846 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.459 ' CE2' ' CG2' ' A' ' 57' ' ' ILE . 2.3 p90 -160.43 138.69 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.411 0.624 . . . . 0.0 112.601 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -120.78 133.76 9.89 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.418 ' CB ' ' HA ' ' B' ' 57' ' ' ILE . 79.6 p -159.28 167.01 30.02 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.419 ' CZ ' ' HB1' ' B' ' 40' ' ' ALA . 17.1 m-85 -134.66 144.01 47.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.604 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 6.2 t -156.27 161.84 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.939 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.1 m -117.84 145.57 44.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 28.6 p80 -164.64 147.82 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.144 0.497 . . . . 0.0 112.083 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -58.16 141.93 48.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.023 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.0 p -56.15 154.15 8.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.414 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER 61.7 40.88 12.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.486 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.434 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 91.2 m-70 -159.51 48.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.934 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.492 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 8.2 t80 -157.88 146.88 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.448 . . . . 0.0 111.505 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 7.4 tt -161.48 145.25 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 84' ' ' LEU . 2.2 t80 -138.9 134.92 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.487 ' CB ' HG12 ' A' ' 8' ' ' ILE . 9.3 p90 -165.44 142.16 5.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.497 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 4.2 m-85 -94.56 145.69 24.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.65 178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 4' ' ' ARG . 31.1 tp -151.53 139.02 19.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.035 0.445 . . . . 0.0 111.841 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.35 -64.57 0.16 Allowed Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.267 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 78' ' ' LEU . 17.3 pt20 178.63 37.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.771 0.32 . . . . 0.0 110.261 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -158.05 144.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 81' ' ' VAL . . . -80.52 135.2 36.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.594 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 83' ' ' ILE . 57.0 mt -125.01 143.24 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' A' ' 73' ' ' PHE . 56.9 tp -137.17 140.0 41.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.933 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 55.0 tp -157.44 136.57 11.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.49 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.492 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.4 p90 -172.88 127.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 22.1 ptmt -92.72 167.41 11.9 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.1 0.476 . . . . 0.0 111.644 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m -148.84 131.12 15.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.641 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.514 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.8 0.334 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 82.8 m -61.59 134.12 56.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 62.69 130.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.511 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 0.8 OUTLIER -72.68 116.04 12.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.437 ' HD3' ' CD1' ' B' ' 78' ' ' LEU . 0.0 OUTLIER -56.7 -31.65 64.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.073 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . -50.22 132.8 24.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.615 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 29.8 m -101.62 137.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.732 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -82.94 144.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -128.76 -35.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.825 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -147.49 49.49 1.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 111.733 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.66 136.02 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.559 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -158.47 62.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 0.0 111.443 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.9 ptm -170.89 -174.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.1 m -55.65 136.84 50.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.453 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 55.8 mt-10 -54.98 -44.97 74.94 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.359 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.503 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -61.57 -41.74 97.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.257 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 66.3 mtt -65.7 -46.3 79.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.269 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 16.5 pt20 -66.46 -38.25 86.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.503 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.5 pt20 -72.42 -37.7 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.468 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.6 -37.77 77.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.8 t -67.53 -43.64 80.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.051 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.43 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 67.7 t -64.32 -47.17 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.11 -42.35 84.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.046 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -64.41 -33.95 77.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.652 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.501 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.47 -39.05 77.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 109.905 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 86.9 m -60.3 -45.06 94.68 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.173 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.415 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 25.6 mt-30 -60.37 -42.82 96.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.117 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.44 ' HB3' HG12 ' B' ' 38' ' ' ILE . . . -55.68 -42.53 75.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.194 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.422 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 50.2 mt -63.59 -48.64 76.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.573 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 11.9 pt-20 -68.64 -29.23 67.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.4 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -86.69 -36.41 18.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -113.8 -43.14 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 66.13 38.06 4.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 110.39 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.9 mt -153.75 123.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.555 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -47.19 -43.71 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.909 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -54.63 -57.44 11.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.911 0.386 . . . . 0.0 111.787 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.11 -40.2 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.057 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.527 HG13 ' O ' ' B' ' 34' ' ' ILE . 81.2 mt -50.05 -59.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.778 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -27.56 68.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 65' ' ' TYR . . . -66.85 -63.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.446 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -64.62 -45.67 85.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.468 -178.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.501 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 83.0 mt -59.54 -41.6 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.783 0.325 . . . . 0.0 111.26 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 5.2 ttpm? -60.41 -54.88 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.338 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.1 pttp -59.31 -39.54 83.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.293 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -56.09 -50.39 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.426 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.464 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 35.0 m-85 -64.57 -44.33 91.05 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.491 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.3 m-20 -61.08 -36.67 80.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 111.177 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 4.4 tmtt? -71.61 -43.89 65.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.012 0.435 . . . . 0.0 111.397 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.23 -59.35 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.515 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.5 m-85 -80.8 -21.49 40.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.665 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 61.2 m-20 92.7 140.91 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.39 0 C-N-CA 122.593 0.357 . . . . 0.0 110.181 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.85 167.82 1.4 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.419 2.079 . . . . 0.0 112.852 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 11.8 t -117.34 121.23 40.55 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 122.607 0.363 . . . . 0.0 111.236 0.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.641 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.4 m95 -98.38 134.32 41.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.239 0.542 . . . . 0.0 112.186 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' B' ' 53' ' ' THR . 21.6 m-70 -112.88 139.53 48.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.135 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 64' ' ' SER . 52.6 t -140.9 140.08 34.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 0.0 112.273 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.422 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 38.2 mm -131.83 144.05 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.93 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 49.1 t -155.96 140.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 121.015 0.436 . . . . 0.0 111.75 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.76 -143.57 7.4 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.608 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 84.8 mtm180 -161.04 31.16 0.14 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 168.16 81.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.202 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.447 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.4 p90 -169.09 148.08 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 112.302 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.47 133.33 11.38 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.43 ' HA ' HD11 ' A' ' 57' ' ' ILE . 59.4 m -122.94 146.85 47.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.43 ' CE1' ' OD1' ' D' ' 3' ' ' ASP . 9.7 t80 -150.24 125.74 10.22 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.927 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 47.8 t -157.85 163.69 1.22 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.352 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 86.3 m -112.57 151.9 29.5 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.423 ' CD2' ' OG1' ' D' ' 4' ' ' THR . 27.3 p80 -165.49 138.98 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.065 0.459 . . . . 0.0 111.624 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.47 158.01 27.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.602 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.8 p -56.44 151.99 12.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 111.76 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 63.97 37.37 9.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.229 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.503 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.0 m-70 -163.06 69.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.097 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.619 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 13.3 t80 -165.18 131.91 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.576 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 12.3 tt -156.38 140.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.229 0.538 . . . . 0.0 111.913 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -142.54 139.72 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.468 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.43 ' CZ ' ' HA ' ' B' ' 22' ' ' VAL . 7.6 p90 -168.9 143.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.148 0.499 . . . . 0.0 111.885 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.401 ' CE2' ' CZ ' ' D' ' 10' ' ' ARG . 4.6 m-85 -81.76 148.42 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.295 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 27.5 tp -167.06 139.11 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.194 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.2 39.51 71.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 57.81 36.07 26.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.789 0.328 . . . . 0.0 111.074 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' B' ' 78' ' ' LEU . 26.9 m -153.04 133.78 4.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.003 0.43 . . . . 0.0 110.867 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -69.88 135.82 49.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -127.22 138.76 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.2 tp -134.52 141.9 46.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.438 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.43 HD22 ' CE2' ' B' ' 46' ' ' PHE . 57.0 tp -156.76 144.49 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.391 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.619 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 8.1 p90 176.67 136.36 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.701 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.641 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.7 ptmm? -91.59 170.22 10.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.153 0.502 . . . . 0.0 111.562 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 44.8 t -142.19 128.72 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.805 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.481 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtm . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.88 0.371 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.06 130.89 44.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.527 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -78.75 109.48 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.307 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.459 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 12.7 t -71.23 145.71 49.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.238 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.421 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -146.91 123.16 1.72 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.966 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.421 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.4 pp -162.18 148.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 111.805 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.564 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 3.0 pp0? -147.17 145.72 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 50.5 t -149.44 153.31 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.504 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.796 ' CB ' ' N ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -63.69 -40.07 95.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.68 51.31 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.743 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.87 51.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.62 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 53.13 45.72 28.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.753 0.311 . . . . 0.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.86 -39.39 2.84 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.128 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -152.7 -44.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.91 0.355 . . . . 0.0 111.112 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 78.4 p -174.37 139.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -173.54 -47.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.646 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' C' ' 18' ' ' LYS . 12.8 mptt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.893 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.751 0.31 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -158.19 136.77 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.095 0.474 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.3 t0 -82.92 119.26 24.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.655 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.483 ' N ' ' O ' ' B' ' 66' ' ' VAL . 31.9 m -71.22 144.4 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.221 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.422 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -155.24 127.93 2.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.444 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.436 ' CD1' ' O ' ' D' ' 6' ' ' ILE . 2.6 pp -160.3 142.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -117.4 139.21 51.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -137.57 146.44 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.025 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.413 ' HA ' ' ND2' ' B' ' 61' ' ' ASN . 12.2 p-10 -168.57 41.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.401 ' CZ ' ' CE2' ' B' ' 77' ' ' TYR . 99.2 mtt180 -73.12 -43.21 61.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 60.58 46.94 8.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -78.28 49.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.524 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . 0.409 ' HB3' ' HB2' ' D' ' 17' ' ' HIS . 37.3 t70 -68.61 -46.5 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.818 0.342 . . . . 0.0 110.727 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.34 41.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.601 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.99 -55.95 0.49 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 51.9 m -54.17 -46.42 72.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.629 0.252 . . . . 0.0 111.172 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . 0.409 ' HB2' ' HB3' ' D' ' 13' ' ' ASP . 27.4 m80 -67.32 -45.28 76.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.8 tttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.932 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.3 m 62.57 134.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.56 143.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.509 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 1.4 mpp_? 65.6 130.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 4' ' ' ARG . 74.5 mmtt -158.16 -102.18 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.402 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . . . 62.9 124.92 0.01 OUTLIER 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.707 0.289 . . . . 0.0 111.477 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.0 m -87.78 139.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.528 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.455 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -96.85 125.69 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.18 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -92.22 -38.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.697 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -168.59 135.88 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.224 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.95 136.18 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 111.887 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' PHE . 55.6 m-20 -122.54 54.36 1.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.989 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.415 ' HG2' ' HB2' ' A' ' 17' ' ' MET . 43.7 ttm -138.1 153.84 49.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.904 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.3 m -45.15 141.14 2.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 95.1 mt-10 -53.42 -46.96 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.804 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.49 -43.98 96.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.415 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 61.2 mtt -60.02 -50.05 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.396 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 14.0 pt20 -59.44 -36.66 76.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.252 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.5 mm100 -62.73 -42.84 99.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.118 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.21 -36.05 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.546 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -67.32 -41.43 85.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.85 -50.69 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.263 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.38 -44.74 90.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.804 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.04 -32.05 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -69.35 -40.52 77.46 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.833 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -57.79 -44.65 86.43 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.909 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.45 -40.52 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.579 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 38' ' ' ILE . . . -51.96 -48.44 64.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 61.2 mt -59.07 -52.22 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.286 0.565 . . . . 0.0 110.665 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.58 -30.46 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.145 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 98.4 mttt -81.16 -38.52 27.0 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 7.3 m-85 -139.11 -56.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 43.2 t30 63.89 50.66 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.528 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' LYS . 46.4 mt -136.09 30.34 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 59.17 -70.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.007 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' ILE . 18.3 ttpp -58.74 -53.91 53.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.123 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -52.71 -40.79 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.479 HG23 HD11 ' A' ' 42' ' ' ILE . 62.6 mt -54.68 -50.44 59.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.27 70.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.929 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -63.44 -55.55 23.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.433 ' CD2' HG13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -69.76 -45.15 68.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.854 0.359 . . . . 0.0 111.826 -178.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 68.8 mt -63.21 -47.26 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.776 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -61.97 -52.69 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.313 -179.01 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -57.69 -34.85 69.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.598 -179.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.508 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 44.6 tt0 -63.78 -52.16 61.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.555 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.552 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 48.9 m-85 -65.87 -44.45 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 13.3 t70 -52.2 -44.84 64.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -79.46 -44.2 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.134 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -72.14 -65.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.6 m-85 -79.76 -11.18 59.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.253 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.15 145.08 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.787 0.435 . . . . 0.0 110.431 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.495 ' HB3' ' OD1' ' A' ' 47' ' ' ASP . 39.9 Cg_endo -66.39 168.26 16.66 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.498 2.132 . . . . 0.0 113.043 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.6 t -115.71 125.4 52.76 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 122.634 0.374 . . . . 0.0 110.671 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.585 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.1 m95 -97.82 131.42 44.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.256 0.551 . . . . 0.0 112.089 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.562 ' HD1' HG12 ' B' ' 66' ' ' VAL . 17.0 m-70 -111.07 137.53 48.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.312 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.1 t -141.32 150.16 42.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 112.274 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.422 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 51.5 mt -149.12 147.62 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.837 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -153.92 137.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.151 0.5 . . . . 0.0 111.614 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.9 -137.45 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.921 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -177.27 37.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.537 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 169.28 70.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.308 179.643 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CG ' ' HB3' ' B' ' 62' ' ' PHE . 20.8 p90 -168.28 133.96 1.85 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.19 141.64 30.4 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.405 ' OG ' ' CE2' ' A' ' 62' ' ' PHE . 59.6 m -136.2 143.78 44.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.668 0.734 . . . . 0.0 112.938 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 7.0 t80 -146.9 134.26 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.935 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.577 HG12 ' HD1' ' B' ' 55' ' ' HIS . 30.1 t -155.72 166.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.725 0.298 . . . . 0.0 111.565 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 99.7 m -130.05 140.58 50.83 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -153.52 154.2 33.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.962 0.411 . . . . 0.0 111.634 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 70' ' ' THR . 5.3 tp10 -57.29 -110.48 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 69' ' ' GLU . 60.1 p -163.46 159.24 21.95 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 112.056 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 6.9 mmpt? 66.55 39.76 3.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.449 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.478 ' HB2' ' HG2' ' A' ' 87' ' ' LYS . 3.5 p80 -175.56 51.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.052 0.453 . . . . 0.0 111.819 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.679 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.0 t80 -130.51 140.53 50.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.974 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.7 tt -163.2 131.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.391 0.615 . . . . 0.0 111.953 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -129.06 133.83 47.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.346 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 1.6 p90 -165.17 138.66 4.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.111 0.482 . . . . 0.0 112.261 -178.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 82' ' ' ALA . 4.4 m-85 -85.79 156.03 20.77 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.621 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 54.9 tp -154.7 132.85 11.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.51 -64.79 0.17 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.954 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 179.43 38.22 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.883 0.373 . . . . 0.0 110.122 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.6 m -156.91 131.81 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 77' ' ' TYR . . . -69.91 139.71 52.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -125.52 131.81 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.1 tp -126.12 140.32 52.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.4 tp -158.64 141.87 14.86 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.881 0.372 . . . . 0.0 111.312 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.679 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 4.7 p90 176.78 139.97 0.07 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 64.0 pttt -95.64 170.29 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.102 0.477 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 43.4 t -148.58 139.3 22.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.728 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.338 -1.257 . . . . 0.0 112.469 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 84.4 m 62.79 132.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.91 131.35 47.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.516 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 4.8 tmm_? -177.68 128.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.146 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.4 mmtt -149.91 -139.12 0.09 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.423 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' B' ' 78' ' ' LEU . . . 64.02 124.85 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.695 0.283 . . . . 0.0 111.092 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.49 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.6 m -93.26 136.02 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 111.586 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -77.4 133.95 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.049 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' B' ' 9' ' ' LYS . 3.5 mmmp? -119.68 -29.94 4.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.055 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -150.85 50.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.596 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.418 ' CB ' HG23 ' B' ' 8' ' ' ILE . . . -60.6 143.93 52.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -170.97 53.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.406 ' O ' ' NE2' ' B' ' 18' ' ' GLN . 55.3 ttp -169.25 162.91 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.694 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -40.59 138.01 1.04 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 111.621 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -53.99 -43.66 70.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.671 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -62.41 -40.65 97.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 65.5 mtt -65.13 -50.86 64.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.016 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' B' ' 13' ' ' MET . 19.9 pt20 -66.47 -38.29 87.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.621 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -68.93 -38.86 79.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.595 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.01 -39.27 94.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -68.58 -41.11 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.888 0.375 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' B' ' 76' ' ' PHE . 48.0 t -64.63 -45.98 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.401 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -46.83 71.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.231 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 88.1 m -67.34 -28.73 68.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.16 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.485 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -72.46 -41.08 66.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.081 0.467 . . . . 0.0 109.988 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 86.7 m -61.88 -46.42 89.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.461 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 85.4 mt-30 -60.7 -40.61 92.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.076 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.509 ' HB3' HG12 ' B' ' 38' ' ' ILE . . . -55.87 -44.35 78.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.212 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.7 mt -64.36 -41.58 96.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -65.59 -36.93 85.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.628 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 61.0 pttt -89.76 -36.36 15.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.464 ' CE2' ' HE3' ' B' ' 31' ' ' LYS . 44.7 m-85 -111.1 -45.25 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.57 45.36 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.298 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.517 ' O ' HG13 ' B' ' 38' ' ' ILE . 58.2 mt -148.77 123.72 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -46.74 -44.68 19.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.009 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.497 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.9 ttpm? -61.66 -57.33 12.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.936 0.398 . . . . 0.0 111.566 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.21 -43.59 64.31 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.239 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.517 HG13 ' O ' ' B' ' 34' ' ' ILE . 82.4 mt -47.32 -58.23 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.091 0.472 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.86 -23.74 66.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.074 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.475 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -63.93 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.848 0.356 . . . . 0.0 111.883 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.459 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.7 OUTLIER -68.52 -45.72 71.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 -179.078 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 69.1 mt -56.75 -46.11 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.569 ' HA ' ' NZ ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -63.81 -49.65 72.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.86 -179.622 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.15 -45.09 83.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.637 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 97.3 mt-10 -59.04 -47.2 86.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' B' ' 42' ' ' ILE . 4.7 m-85 -65.17 -45.41 84.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.687 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.463 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.1 m-20 -60.0 -33.53 72.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 4.5 tmtt? -80.48 -42.7 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 97.4 mttt -78.53 -60.53 2.34 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.12 -17.99 38.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 93.28 144.03 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.42 0 C-N-CA 122.696 0.398 . . . . 0.0 110.065 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' B' ' 47' ' ' ASP . 34.1 Cg_exo -61.36 170.53 5.17 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.306 2.004 . . . . 0.0 112.626 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.552 HG22 ' CB ' ' B' ' 88' ' ' SER . 9.7 t -118.16 116.13 26.21 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 111.051 0.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.69 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -91.57 147.31 23.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.959 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.577 ' HD1' HG12 ' A' ' 66' ' ' VAL . 20.5 m-70 -125.2 137.03 54.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.2 t -143.0 147.07 34.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.25 0.548 . . . . 0.0 112.074 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.473 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 35.0 mm -143.75 144.77 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 61.1 t -150.68 132.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.101 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.88 -136.87 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.65 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 86.1 mtm180 -158.74 30.04 0.22 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.544 0.212 . . . . 0.0 111.546 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.544 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 164.87 83.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.567 ' HB3' ' CG ' ' A' ' 62' ' ' PHE . 3.5 p90 -155.63 133.28 11.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -96.99 147.72 18.77 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 81.5 p -159.04 150.43 20.4 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.15 0.975 . . . . 0.0 113.226 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.0 t80 -139.61 132.18 28.76 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.586 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.562 HG12 ' HD1' ' A' ' 55' ' ' HIS . 35.4 t -155.69 165.94 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.43 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 87.6 m -118.51 149.39 41.38 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 28.1 p80 -164.58 145.86 8.1 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.972 0.415 . . . . 0.0 111.956 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' D' ' 1' ' ' MET . 16.1 pt-20 -62.12 150.58 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.775 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.5 p -56.27 150.7 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.527 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.5 mmpt? 66.97 36.53 4.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.435 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.9 m80 -157.4 69.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.659 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 27.8 t80 -165.55 134.8 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.445 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.45 HD12 ' CD2' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -157.35 141.4 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.128 0.489 . . . . 0.0 111.63 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' B' ' 76' ' ' PHE . 4.1 t80 -147.72 146.64 29.32 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.863 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 3.6 p90 -167.02 146.04 5.21 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.109 0.48 . . . . 0.0 111.897 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -92.47 141.56 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.956 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 6' ' ' ALA . 57.0 tp -168.44 145.68 3.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 111.688 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.14 39.41 70.3 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.487 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' B' ' 80' ' ' GLN . 0.4 OUTLIER 55.29 38.18 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.811 0.339 . . . . 0.0 110.758 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.41 HG11 ' CG ' ' B' ' 60' ' ' ARG . 35.5 m -156.93 132.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -73.2 141.57 47.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.235 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.0 mt -132.52 142.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.604 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 65.1 tp -143.03 145.63 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' B' ' 55' ' ' HIS . 5.4 tt -159.48 141.08 13.09 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.394 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.497 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.9 p90 -178.61 131.67 0.13 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.69 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 17.8 ptpt -81.99 156.9 24.44 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.552 ' CB ' HG22 ' B' ' 53' ' ' THR . 26.2 t -71.43 -152.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.72 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.422 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.825 0.345 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.471 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -82.39 129.91 34.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.495 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -83.47 123.2 29.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.381 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.404 HG21 ' HB ' ' A' ' 66' ' ' VAL . 8.9 t -86.27 132.4 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.294 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.46 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -119.52 126.36 6.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 46.8 pt -161.54 170.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.021 0.438 . . . . 0.0 111.276 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -158.79 119.35 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.526 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.402 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 22.2 t -87.27 138.67 18.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.79 ' CB ' ' N ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 62.44 -134.16 0.5 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 59.59 40.84 19.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 mp -81.8 50.0 1.45 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' C' ' 18' ' ' LYS . 38.7 t70 -178.81 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.706 0.289 . . . . 0.0 111.193 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' C' ' 15' ' ' LYS . . . 80.43 137.81 1.93 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.918 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' C' ' 14' ' ' GLY . 27.2 mtpp 70.32 -57.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 0.0 110.85 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.6 t -65.11 137.25 57.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.729 0.3 . . . . 0.0 110.45 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.14 46.78 0.95 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.809 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . 0.421 ' HD2' ' HB2' ' C' ' 13' ' ' ASP . 98.3 mttt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.88 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.42 ' HA ' ' HA ' ' B' ' 69' ' ' GLU . 56.3 ttp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.729 0.299 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -155.97 134.47 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.221 0.534 . . . . 0.0 111.004 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 11.0 p-10 -77.32 123.8 26.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.92 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.503 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 11.1 t -79.81 142.33 35.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.32 132.37 5.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.686 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 50.6 pt -153.38 168.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.972 0.415 . . . . 0.0 111.135 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.466 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 3.0 pt20 -162.66 69.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.883 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.3 138.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.417 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 29.5 t70 -170.96 110.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.534 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 179.39 132.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' D' ' 13' ' ' ASP . 56.1 m-20 -81.78 48.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.355 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' D' ' 11' ' ' ASP . 2.8 mm? 67.86 -32.14 0.2 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.349 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' D' ' 11' ' ' ASP . 56.7 m-20 59.02 46.89 12.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 111.027 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.12 -44.42 93.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.429 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.37 -47.22 82.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -179.2 135.49 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -61.1 135.01 57.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.911 -179.897 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.72 0.295 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 50.4 t 69.18 -56.4 0.54 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.58 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.471 ' OD1' ' HG3' ' A' ' 4' ' ' ARG . 9.0 t0 -59.57 135.87 57.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.442 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.471 ' HG3' ' OD1' ' A' ' 3' ' ' ASP . 60.1 mtm180 63.01 36.91 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.037 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.25 -18.22 57.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . . . -38.65 130.78 1.36 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 21.7 m -100.67 138.54 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.066 0.46 . . . . 0.0 111.719 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.7 mp -99.31 147.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.497 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -141.22 -47.5 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.51 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.1 m120 -103.21 48.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 111.233 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.9 128.6 36.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.82 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.01 58.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.452 ' HG2' ' HB2' ' A' ' 17' ' ' MET . 54.3 ttp -178.24 158.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.8 m -38.39 140.43 0.31 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.876 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 50.5 mt-10 -51.86 -48.6 63.95 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.84 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.55 -42.74 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.945 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.452 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 65.4 mtt -60.88 -49.64 76.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 14.5 pt20 -62.81 -40.93 98.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.855 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.33 -40.05 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.079 0.466 . . . . 0.0 110.186 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.515 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 38.2 t70 -64.0 -38.6 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.739 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.1 m -64.43 -46.35 83.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.135 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -59.63 -47.5 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.077 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.515 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -68.06 -44.66 75.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.97 0.415 . . . . 0.0 110.177 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.8 -33.4 75.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.3 -39.92 74.54 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.383 0.611 . . . . 0.0 109.742 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.5 m -59.74 -47.12 86.93 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.611 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.544 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 41.5 tt0 -57.94 -49.17 77.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.895 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 38' ' ' ILE . . . -49.74 -41.19 43.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.797 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' ASN . 56.6 mt -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.598 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.96 -25.32 67.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.066 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 4.7 mptp? -78.32 -32.06 49.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.958 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 51.8 m-85 -144.72 -39.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 32' ' ' TYR . 73.4 m-80 73.35 48.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.455 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 38' ' ' ILE . 49.4 mm -143.06 129.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.63 -41.49 42.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.494 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -62.9 -56.12 20.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.003 0.43 . . . . 0.0 111.22 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -53.82 -43.62 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.17 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.576 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 78.1 mt -47.29 -44.75 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 111.044 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' B' ' 65' ' ' TYR . . . -60.97 -38.18 85.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.069 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.36 82.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.661 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CD2' ' CB ' ' A' ' 28' ' ' ALA . 73.5 m-70 -60.29 -57.18 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.999 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.99 -35.9 70.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.221 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 11.3 tmtt? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 45' ' ' GLU . 65.0 pttt -63.28 -46.99 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.7 tp10 -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 111.419 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.428 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 4.9 m-85 -78.37 -42.59 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -60.26 -34.22 73.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.024 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.72 -41.03 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.983 0.421 . . . . 0.0 111.172 -179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -80.7 -58.11 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.52 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 6.9 m-85 -88.36 -14.12 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 65.7 m-20 94.86 143.69 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 C-N-CA 122.859 0.464 . . . . 0.0 110.544 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 43.7 Cg_endo -67.64 169.22 16.37 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.639 2.226 . . . . 0.0 113.046 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.427 HG23 ' CE1' ' A' ' 55' ' ' HIS . 13.0 t -116.77 123.0 46.08 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.715 0.406 . . . . 0.0 110.972 0.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.651 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.7 m95 -92.8 127.79 38.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 111.723 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 32.6 m-70 -93.9 131.69 39.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.517 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.3 m -122.83 141.19 52.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.216 0.531 . . . . 0.0 112.073 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' B' ' 64' ' ' SER . 39.6 mm -147.18 137.51 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.501 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 45.9 t -152.59 135.43 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.838 0.351 . . . . 0.0 111.232 -179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.33 -131.54 1.83 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.252 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 24.1 ptt-85 -175.53 38.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER 167.68 80.7 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 14.3 p90 -162.06 135.84 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.549 0.69 . . . . 0.0 112.416 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -110.07 139.83 15.57 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.448 ' HB2' HG12 ' B' ' 57' ' ' ILE . 71.0 p -158.07 151.32 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.215 1.008 . . . . 0.0 113.603 -178.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.487 ' CD2' ' HD3' ' B' ' 43' ' ' LYS . 35.4 t80 -126.56 131.45 51.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.057 178.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 21.9 t -153.57 168.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 77.7 m -119.35 144.88 46.62 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -159.21 150.67 20.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.268 0.556 . . . . 0.0 112.198 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.5 152.91 10.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.28 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -57.19 142.69 41.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.148 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 12.1 mptt 57.62 25.3 11.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.956 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.446 ' ND1' ' HG3' ' A' ' 87' ' ' LYS . 45.1 m170 -123.8 54.98 1.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.748 0.309 . . . . 0.0 110.836 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 74' ' ' ILE . 7.8 t80 -166.38 148.38 6.7 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.48 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 8.5 tt -166.24 130.43 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-O 121.12 0.486 . . . . 0.0 111.93 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 48.2 t80 -113.12 140.98 47.44 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.444 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.5 p90 -168.73 138.15 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 111.777 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -79.51 145.84 33.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.742 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 37.2 tp -170.34 139.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.587 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.63 43.21 86.12 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.621 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.61 34.67 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.704 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.6 m -158.5 131.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.549 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' CB ' ' OH ' ' A' ' 75' ' ' TYR . . . -69.94 123.32 21.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.563 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 78' ' ' LEU . 53.7 mt -100.51 149.16 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.582 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.463 ' HB3' ' HB ' ' A' ' 57' ' ' ILE . 63.4 tp -142.99 140.79 31.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 62.9 tp -150.35 138.94 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.447 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.463 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.1 p90 -173.14 120.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -86.06 170.18 12.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.224 0.535 . . . . 0.0 111.6 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t -153.62 130.87 11.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.741 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.295 -1.28 . . . . 0.0 112.46 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.786 0.327 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 85.1 m -61.38 -44.98 96.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 63.18 133.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.557 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 2.7 tmm_? -177.2 128.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.235 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.557 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.4 mmtt -147.82 -132.49 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.134 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . 65.6 134.22 0.02 OUTLIER 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.183 -0.323 . . . . 0.0 111.32 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.7 m -97.47 138.29 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 111.899 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -81.94 145.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.518 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -129.64 -39.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.3 m-80 -133.91 53.23 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.37 . . . . 0.0 111.227 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.402 ' CB ' HG21 ' B' ' 8' ' ' ILE . . . -57.27 137.49 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.41 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.0 t70 -175.41 53.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.37 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.413 ' CE ' ' HA ' ' B' ' 72' ' ' HIS . 51.2 ttm -168.69 151.97 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.369 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -40.97 139.89 0.82 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 111.896 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.438 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 16.7 pt-20 -51.21 -43.37 61.4 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.77 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.11 -42.59 98.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.109 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtt -64.93 -50.77 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.988 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 18.3 pt20 -64.37 -37.64 88.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.514 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -69.39 -41.96 75.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.547 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -68.04 -36.6 80.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.485 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 t -64.68 -44.0 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.56 -46.37 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.19 -45.1 86.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.51 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.75 -35.12 78.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.068 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.4 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.31 -37.64 77.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.222 0.535 . . . . 0.0 109.91 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -61.75 -46.02 91.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.627 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -58.86 -46.86 86.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.31 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' B' ' 38' ' ' ILE . . . -54.78 -41.43 70.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.443 ' CD2' HD13 ' B' ' 38' ' ' ILE . 36.1 mt -61.85 -48.27 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.386 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -66.42 -32.54 73.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.048 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.539 ' HG3' ' CD2' ' B' ' 32' ' ' TYR . 0.1 OUTLIER -87.46 -29.27 21.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.717 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.598 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 43.7 m-85 -133.08 -49.16 0.86 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.45 -0.5 . . . . 0.0 112.293 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' B' ' 32' ' ' TYR . 49.5 t30 69.45 49.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.525 ' O ' HG13 ' B' ' 38' ' ' ILE . 48.0 mm -136.13 134.47 50.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -54.36 -55.35 29.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' B' ' 36' ' ' LYS . 3.3 tmmm? -69.86 -48.87 57.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.508 ' HB2' ' HB ' ' B' ' 34' ' ' ILE . 1.3 m-20 -57.4 -47.42 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 111.633 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 34' ' ' ILE . 96.9 mt -55.55 -45.96 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.407 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.98 73.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.445 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -65.7 -48.16 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.086 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.598 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 13.9 m-70 -61.82 -51.54 67.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.447 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 60.8 mt -56.27 -45.4 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.542 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.487 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 86.9 tttt -58.18 -52.7 64.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.954 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -55.99 -44.22 78.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.1 -47.85 80.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.621 0.248 . . . . 0.0 111.158 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.453 ' CE2' ' CD2' ' B' ' 85' ' ' LEU . 30.7 m-85 -65.19 -43.49 91.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.689 0.281 . . . . 0.0 111.587 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.557 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.3 m-20 -56.02 -36.95 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 110.717 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 3.3 tmtp? -72.55 -40.11 66.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.167 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -81.96 -62.79 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 15.6 m-85 -90.13 -17.25 28.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' B' ' 47' ' ' ASP . 57.9 m-20 91.64 142.47 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.37 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.411 ' HB3' ' HA ' ' B' ' 53' ' ' THR . 51.0 Cg_exo -52.95 170.77 0.27 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 112.839 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.436 HG21 ' CE1' ' B' ' 55' ' ' HIS . 11.1 t -119.18 110.75 17.4 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 122.782 0.433 . . . . 0.0 111.328 0.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.719 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 23.0 m95 -86.95 117.99 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.232 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.443 ' HD1' HG13 ' A' ' 66' ' ' VAL . 34.5 m-70 -91.12 134.27 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 37.6 t -131.3 149.9 52.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 112.364 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.516 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 51.8 mt -148.41 149.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.106 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 45.6 t -156.35 138.76 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.025 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.48 -135.2 2.56 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.948 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.6 ptt180 -176.5 32.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.572 ' HA ' ' HA ' ' D' ' 9' ' ' ASP . 39.1 t30 167.14 82.56 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 110.368 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.516 ' CZ ' HG21 ' B' ' 57' ' ' ILE . 6.1 p90 -172.55 134.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.731 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.17 136.64 17.18 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.467 ' HA ' HD11 ' A' ' 57' ' ' ILE . 87.4 p -125.21 150.61 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.427 0.613 . . . . 0.0 112.259 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.428 ' CE1' ' OD1' ' D' ' 3' ' ' ASP . 24.8 t80 -154.31 123.04 6.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.092 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 59.6 t -158.87 163.68 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 111.611 -178.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 95.2 m -112.27 156.51 22.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 22.6 p80 -170.31 143.91 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 111.897 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.49 153.58 31.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -57.72 153.11 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.648 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.55 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.51 38.84 7.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.756 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 82.7 m-70 -163.35 70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.469 ' HB2' ' CE1' ' B' ' 68' ' ' HIS . 2.1 t80 -164.0 126.87 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.312 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 9.9 tt -153.76 134.53 4.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 0.0 112.018 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -138.97 138.12 37.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.284 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.454 ' N ' ' CD1' ' B' ' 76' ' ' PHE . 1.1 p90 -166.77 138.2 3.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.456 ' CE1' ' HB3' ' B' ' 82' ' ' ALA . 40.5 m-85 -78.17 149.59 33.71 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.829 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.467 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 47.7 tp -170.19 140.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.23 39.52 64.65 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.297 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 57.56 38.74 28.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.743 0.306 . . . . 0.0 110.918 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' B' ' 78' ' ' LEU . 27.0 m -157.81 136.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.987 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.456 ' HB3' ' CE1' ' B' ' 77' ' ' TYR . . . -69.89 140.62 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.43 HD11 HG21 ' B' ' 83' ' ' ILE . 61.4 mt -127.91 133.8 66.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.7 tp -134.85 145.29 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 111.209 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.453 ' CD2' ' CE2' ' B' ' 46' ' ' PHE . 51.6 tp -159.89 142.97 13.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.414 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 11.0 p90 -177.77 128.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.719 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -84.64 158.22 20.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 111.366 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.6 t -136.72 135.41 38.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 0.8 OUTLIER -101.87 134.56 44.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.527 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.1 p30 -82.01 120.87 25.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.555 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 66' ' ' VAL . 12.6 t -82.26 146.37 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.413 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -153.31 125.2 1.72 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.336 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.441 ' O ' ' CD1' ' C' ' 6' ' ' ILE . 2.6 pp -160.43 136.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.103 0.478 . . . . 0.0 111.394 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -109.16 73.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.183 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.47 137.31 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.363 . . . . 0.0 111.008 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.799 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 41.6 ptt85 -83.24 136.19 34.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.744 0.307 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . 0.579 ' C ' ' H ' ' C' ' 13' ' ' ASP . 55.8 m-20 -87.78 43.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.892 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' C' ' 11' ' ' ASP . 90.0 mt 68.07 -31.06 0.18 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.115 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . 0.579 ' H ' ' C ' ' C' ' 11' ' ' ASP . 55.9 m-20 60.79 47.08 8.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.69 -127.7 34.19 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.432 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' C' ' 15' ' ' LYS . 62.3 tttm -167.3 48.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.458 . . . . 0.0 110.472 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 63.2 m -167.47 -43.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.691 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -65.8 -47.22 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.879 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.442 ' O ' ' HG2' ' D' ' 1' ' ' MET . 51.1 ttp . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.982 0.42 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' B' ' 68' ' ' HIS . 46.5 mmtm -158.13 137.28 11.61 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.784 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.523 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 8.3 t0 -117.81 115.46 25.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.813 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.493 ' N ' ' O ' ' B' ' 66' ' ' VAL . 52.1 m -75.59 140.98 42.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.137 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.436 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -159.84 128.37 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.183 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.6 pp -161.46 146.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 111.768 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -103.61 87.69 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.318 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' B' ' 62' ' ' PHE . 80.3 t -69.37 140.84 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 0.0 111.244 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.572 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 -169.64 35.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.085 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 44.63 51.38 8.15 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.245 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -78.45 44.19 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.749 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -96.22 35.88 1.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.261 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.07 131.18 45.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.408 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.3 57.29 4.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.253 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm 65.87 44.19 2.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.985 0.421 . . . . 0.0 110.633 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -178.61 131.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.612 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -49.37 134.4 18.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.36 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 57.5 tptt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.843 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -177.25 43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 179.83 133.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.791 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.42 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -57.16 126.7 28.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.988 -179.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -91.75 23.72 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.411 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . -58.8 124.99 21.65 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.3 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.449 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -101.28 138.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.998 0.428 . . . . 0.0 111.896 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -77.67 144.78 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.055 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 31.5 mmmt -128.13 -38.17 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.397 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -146.55 53.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 111.028 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.42 142.0 34.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.472 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -170.65 56.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.423 ' HG2' ' N ' ' A' ' 14' ' ' SER . 50.0 ttm -165.95 161.94 17.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.405 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 13' ' ' MET . 54.1 m -49.63 136.26 17.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -50.51 -44.27 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.503 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -59.85 -46.38 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtt -58.83 -44.92 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 13' ' ' MET . 62.5 mt-30 -55.34 -43.49 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.25 -43.59 98.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.44 -38.68 87.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.581 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -68.75 -45.7 70.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.315 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.421 HG21 ' CE2' ' A' ' 76' ' ' PHE . 47.1 t -67.33 -41.03 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.08 -43.26 78.95 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.387 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.28 -38.93 92.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.578 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.49 -35.98 80.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.7 m -60.45 -45.4 93.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.397 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -59.8 -46.65 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.399 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -56.72 -37.08 70.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.02 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 33' ' ' ASN . 63.6 mt -66.18 -49.54 67.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.453 . . . . 0.0 111.396 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -72.22 -32.54 66.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.05 -16.92 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.097 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE2' ' NE2' ' A' ' 41' ' ' HIS . 46.7 m-85 -144.81 -36.66 0.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 23.0 p30 54.59 50.57 15.69 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.492 ' O ' HG13 ' A' ' 38' ' ' ILE . 66.6 mt -146.46 127.37 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.62 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.92 -47.53 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.788 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -58.32 -55.19 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.381 . . . . 0.0 111.319 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 55.4 m-20 -54.66 -44.85 73.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.536 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 34' ' ' ILE . 98.7 mt -51.64 -42.51 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.978 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.43 -42.3 79.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.693 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.19 89.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 64.2 m-70 -68.14 -54.31 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.893 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.44 HG23 ' CE2' ' A' ' 46' ' ' PHE . 65.2 mt -58.59 -42.1 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.6 -52.93 63.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.184 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 41' ' ' HIS . 64.9 pttt -62.21 -44.3 96.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 5.2 mm-40 -55.58 -48.08 75.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.313 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.554 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 28.1 m-85 -71.94 -44.64 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 37.5 m-20 -55.77 -34.64 65.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -83.34 -40.14 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -80.17 -60.36 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.517 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.7 m-85 -85.79 -18.82 31.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 93.99 144.74 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 C-N-CA 122.848 0.459 . . . . 0.0 110.138 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 38.5 Cg_exo -61.02 169.33 6.12 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.469 2.113 . . . . 0.0 112.91 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -116.99 121.49 41.52 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 0.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.616 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 25.3 m95 -94.53 127.86 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.054 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 21.6 m-70 -101.35 136.41 41.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -135.81 148.11 48.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.392 0.615 . . . . 0.0 112.375 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.419 HG21 ' CE1' ' A' ' 62' ' ' PHE . 51.9 mt -148.39 135.15 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.848 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 50.6 t -145.11 133.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.997 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.89 -132.03 1.82 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.217 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.4 ptt180 -179.03 40.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 163.13 82.39 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.231 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.508 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 10.7 p90 -171.87 137.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.357 0.598 . . . . 0.0 112.464 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.64 150.46 19.66 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.416 ' HB2' HG12 ' B' ' 57' ' ' ILE . 70.2 p -166.39 154.89 10.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CE2' ' CB ' ' B' ' 40' ' ' ALA . 23.4 m-85 -138.11 137.5 37.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.097 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 14.2 t -155.11 159.83 2.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.88 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.443 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.3 m -116.93 147.74 41.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -165.28 154.43 12.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.21 0.528 . . . . 0.0 112.076 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -59.09 140.02 56.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.104 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.5 p -58.96 150.94 23.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.6 37.41 7.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.637 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.461 ' CD2' ' HD2' ' A' ' 87' ' ' LYS . 66.4 m80 -155.66 56.34 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.629 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.474 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.8 t80 -160.06 144.81 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.912 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.419 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 11.1 tt -160.01 129.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.361 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 37.8 t80 -125.83 133.7 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.547 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.1 p90 -165.94 137.35 3.78 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.476 ' CD1' ' NH2' ' C' ' 10' ' ' ARG . 64.4 m-85 -73.88 154.69 39.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.277 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.6 tp -161.87 132.65 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 111.91 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.41 -65.39 0.26 Allowed Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.067 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.431 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 19.0 pt20 179.47 35.67 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.91 0.386 . . . . 0.0 110.102 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 27.8 m -160.85 135.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.752 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 58' ' ' VAL . . . -69.96 126.83 30.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 83' ' ' ILE . 59.0 mt -106.5 136.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.428 HD13 ' CZ ' ' A' ' 73' ' ' PHE . 60.5 tp -128.13 141.38 51.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.428 HD23 ' CE2' ' A' ' 46' ' ' PHE . 50.0 tp -156.87 138.58 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.451 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.474 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.6 p90 -178.23 126.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.641 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.616 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -96.45 170.14 9.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.18 0.514 . . . . 0.0 111.807 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.47 ' N ' ' HD3' ' A' ' 87' ' ' LYS . 39.8 t -148.4 136.74 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.326 -1.263 . . . . 0.0 112.512 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' B' ' 1' ' ' MET . 51.2 ttp . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.34 134.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 62.89 138.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.446 ' C ' ' HD2' ' B' ' 4' ' ' ARG . 3.7 tmm_? -172.63 124.35 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.546 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 2.8 mptp? -132.86 -121.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.528 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' B' ' 78' ' ' LEU . . . 68.86 138.36 0.03 OUTLIER 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.959 0.409 . . . . 0.0 111.642 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.0 m -107.62 136.83 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.627 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -89.66 145.98 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.075 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -135.47 -43.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.976 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.535 ' HB3' ' HB3' ' B' ' 75' ' ' TYR . 22.8 t-20 -114.88 51.76 0.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.021 0.439 . . . . 0.0 110.271 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.06 137.01 47.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.226 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -177.68 52.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.46 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.497 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 52.2 ttm -167.48 148.16 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.081 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -42.46 145.52 0.41 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.923 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -55.28 -44.93 76.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.707 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -65.8 -45.27 83.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.497 ' HB2' ' HG2' ' B' ' 13' ' ' MET . 86.5 mtp -62.4 -49.42 75.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.418 ' HB2' ' CD1' ' B' ' 74' ' ' ILE . 3.3 pt20 -64.93 -38.29 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.619 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -68.31 -39.98 81.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -67.2 -37.49 83.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.655 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.78 -42.43 86.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.033 0.444 . . . . 0.0 110.036 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.421 HG22 ' CE2' ' B' ' 76' ' ' PHE . 51.9 t -63.33 -49.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.471 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.43 -42.72 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.83 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -61.73 -34.31 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.648 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.02 -38.83 79.43 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.8 m -59.5 -45.69 90.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.19 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.91 -39.14 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.836 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.403 ' HB2' HG12 ' B' ' 38' ' ' ILE . . . -55.88 -45.95 78.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.234 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.0 -43.89 94.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.001 0.429 . . . . 0.0 111.03 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.54 -33.62 76.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -86.61 -40.8 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.916 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.489 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -112.95 -45.49 3.18 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 66.35 44.91 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.964 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.554 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.6 mt -154.12 124.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -45.12 -44.76 10.82 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -59.45 -58.21 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.489 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 58.9 m-20 -54.6 -42.51 71.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.238 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 34' ' ' ILE . 75.9 mt -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 111.061 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' B' ' 43' ' ' LYS . . . -66.61 -23.14 66.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.986 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.465 ' CB ' ' CE2' ' A' ' 65' ' ' TYR . . . -67.67 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.454 ' HA ' ' HE3' ' B' ' 44' ' ' LYS . 0.0 OUTLIER -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.486 -178.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.526 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 72.9 mt -60.37 -44.01 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.476 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.495 ' HD3' ' C ' ' B' ' 43' ' ' LYS . 13.2 tmtt? -61.71 -49.81 74.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 20.2 pttp -64.99 -41.37 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.411 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.11 -56.68 17.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.579 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 42.3 m-85 -62.93 -43.94 97.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.436 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.6 t0 -54.52 -43.44 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.79 -45.25 37.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.985 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.23 -69.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.0 m-30 -72.41 -11.74 60.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.967 -178.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 90.93 143.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 O-C-N 123.505 0.503 . . . . 0.0 110.456 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.41 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 23.5 Cg_endo -61.64 168.91 7.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.32 2.013 . . . . 0.0 112.29 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 9.5 t -113.64 130.05 56.46 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.892 0.477 . . . . 0.0 110.464 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.579 ' CE2' ' HB3' ' B' ' 46' ' ' PHE . 24.7 m95 -103.31 133.74 47.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.448 ' ND1' HG11 ' A' ' 66' ' ' VAL . 23.4 m-70 -111.85 136.32 51.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.045 -0.98 . . . . 0.0 108.598 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.3 t -141.78 149.51 40.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.248 0.547 . . . . 0.0 112.295 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.514 HG21 ' CE2' ' B' ' 62' ' ' PHE . 39.5 mt -148.65 142.35 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.066 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.06 134.67 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.59 -130.08 1.55 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.249 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 23.2 ptt-85 -174.14 35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.705 0.288 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 168.74 80.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.714 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.514 ' CE2' HG21 ' B' ' 57' ' ' ILE . 4.9 p90 -155.89 130.16 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.23 139.5 14.48 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.401 ' HB2' HG12 ' A' ' 57' ' ' ILE . 76.2 p -163.44 163.05 25.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.711 1.255 . . . . 0.0 114.297 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' D' ' 4' ' ' THR . 17.8 m-85 -135.5 143.96 46.09 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.862 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.615 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 24.4 t -159.15 161.28 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.497 ' CG2' ' HG2' ' D' ' 2' ' ' LYS . 81.4 m -109.79 139.22 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.439 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 31.1 p80 -157.68 136.51 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 111.662 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.4 ' HG3' ' CG ' ' B' ' 72' ' ' HIS . 16.5 pt-20 -57.58 148.87 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.8 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -57.37 148.65 22.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.7 35.92 8.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.551 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.4 ' CG ' ' HG3' ' B' ' 69' ' ' GLU . 58.7 m80 -153.83 69.42 0.79 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.732 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.599 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.8 t80 -176.42 143.44 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.436 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 7.8 tt -155.01 131.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.282 0.563 . . . . 0.0 112.096 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.535 ' HB3' ' HB3' ' B' ' 10' ' ' ASN . 5.3 t80 -130.82 134.72 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 2.7 p90 -169.98 135.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.128 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.464 ' CE2' ' CZ ' ' D' ' 10' ' ' ARG . 52.6 m-85 -72.81 149.27 43.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.472 ' HB2' ' HB1' ' B' ' 6' ' ' ALA . 3.5 tt -170.09 138.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.51 40.38 77.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.315 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.401 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 14.1 mp0 57.83 36.19 26.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.682 0.277 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 26.8 m -158.39 135.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.85 136.39 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.192 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 56.0 mt -119.42 141.26 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 65.7 tp -140.04 139.92 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 58.3 tp -158.87 140.24 13.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.706 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.599 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.3 p90 -177.55 133.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' B' ' 53' ' ' THR . 63.5 pttt -99.57 142.58 30.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 111.609 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 46.7 t -111.7 132.07 54.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.471 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -154.24 129.9 10.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.545 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -81.08 117.46 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.838 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.447 ' OG1' ' CE2' ' A' ' 73' ' ' PHE . 15.3 t -74.97 141.16 44.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.105 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.94 134.19 6.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.4 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -155.87 170.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.12 0.486 . . . . 0.0 111.718 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 38.9 tt0 -157.84 69.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.31 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 52.7 t -69.43 142.17 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.798 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.476 ' NH2' ' CD1' ' A' ' 77' ' ' TYR . 33.1 ptt180 -89.53 -43.13 11.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 111.321 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' C' ' 13' ' ' ASP . 1.5 m-20 58.83 35.56 24.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' C' ' 12' ' ' LEU . 4.6 mp 67.12 -35.67 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . 0.583 ' H ' ' C ' ' C' ' 11' ' ' ASP . 8.2 t70 68.58 -55.49 0.53 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.72 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.97 -125.21 0.83 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.404 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.472 ' NZ ' ' HB2' ' C' ' 15' ' ' LYS . 0.2 OUTLIER -57.41 -38.34 74.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.818 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p -171.09 134.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . 0.421 ' CD2' ' HE2' ' C' ' 18' ' ' LYS . 24.2 p-80 -54.63 134.92 47.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . 0.466 ' HG3' ' OXT' ' C' ' 18' ' ' LYS . 58.6 pttt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.459 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.968 0.413 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' D' ' 2' ' ' LYS . 0.0 OUTLIER -167.0 132.39 2.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.21 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.615 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 -163.95 107.12 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.316 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.452 ' N ' ' O ' ' B' ' 66' ' ' VAL . 14.1 t -70.01 148.92 48.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.984 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.54 129.42 2.76 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.32 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.436 ' CD1' ' O ' ' D' ' 6' ' ' ILE . 2.5 pp -159.5 134.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 111.792 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 14.4 pt20 -110.0 73.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.412 ' CG2' ' OH ' ' B' ' 75' ' ' TYR . 38.7 t -69.11 131.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.512 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.6 m-20 -156.73 35.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.412 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.464 ' CZ ' ' CE2' ' B' ' 77' ' ' TYR . 40.2 ttm180 -81.82 123.2 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.768 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . 0.58 ' C ' ' H ' ' D' ' 13' ' ' ASP . 38.7 t70 -95.16 33.8 1.49 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.349 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' D' ' 12' ' ' LEU . 4.8 mp 65.99 -35.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.438 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' D' ' 11' ' ' ASP . 35.1 t70 -177.47 143.34 0.36 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.08 -122.03 0.62 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.542 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -46.31 -29.81 1.8 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.701 0.286 . . . . 0.0 111.333 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -157.61 136.89 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -56.82 129.58 41.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.97 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . 0.524 ' N ' ' HD2' ' D' ' 18' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.7 mmm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.787 0.327 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.4 m 59.68 44.06 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -178.8 137.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 63.31 142.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -176.61 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 78' ' ' LEU . . . -49.29 130.27 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.849 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.8 m -95.84 138.49 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.324 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.3 tp -85.64 141.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB3' ' NZ ' ' A' ' 9' ' ' LYS . 3.8 mmmp? -120.41 -52.17 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.392 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ALA . 6.1 m120 -92.45 -60.63 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.605 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' ASN . . . 60.35 131.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 36.5 t70 -177.54 56.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 0.0 111.435 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.422 ' HB2' ' CE ' ' A' ' 17' ' ' MET . 16.4 ptp -171.54 -177.05 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 m -58.28 140.01 54.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 53.0 mm-40 -52.86 -46.42 67.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.496 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.6 pt-20 -69.53 -37.16 77.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.422 ' CE ' ' HB2' ' A' ' 13' ' ' MET . 38.6 ttp -68.33 -42.33 79.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.923 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.5 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 14.7 pt20 -65.21 -41.94 93.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.21 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.44 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 3.1 pt20 -63.0 -37.98 89.36 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.07 -36.71 80.36 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.916 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.1 t -63.77 -43.48 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.446 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 59.3 t -63.45 -46.55 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.419 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.68 -45.83 84.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.149 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.29 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.88 -36.78 78.49 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 109.812 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -60.91 -48.11 83.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.735 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -59.12 -47.43 85.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 41' ' ' HIS . . . -54.34 -36.55 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 54.6 mt -63.56 -47.72 80.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.641 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.37 -26.25 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.093 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 26.9 mmmt -90.2 -51.19 5.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.453 0.644 . . . . 0.0 109.979 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.578 ' C ' ' H ' ' A' ' 34' ' ' ILE . 8.5 m-85 -137.15 94.61 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.612 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -70.28 24.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 111.131 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.578 ' H ' ' C ' ' A' ' 32' ' ' TYR . 1.7 mp -98.7 136.2 30.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.539 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.6 mt-10 -48.43 -49.22 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.824 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 6.3 ttpm? -60.49 -57.35 13.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.337 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' CB ' ' CB ' ' A' ' 32' ' ' TYR . 59.8 m-20 -52.07 -42.35 63.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 34' ' ' ILE . 86.5 mt -48.0 -43.96 11.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.437 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.33 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.012 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -65.27 -45.89 82.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 27.6 m-70 -63.75 -62.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 46' ' ' PHE . 64.7 mt -55.12 -42.75 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.312 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 13.3 tmtt? -61.98 -52.35 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -68.78 -45.41 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -53.93 -48.94 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.503 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 20.9 m-85 -65.99 -44.47 84.76 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.67 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 30.0 m-20 -55.97 -33.97 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.643 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.82 -42.82 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.357 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -76.28 -69.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.552 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 49.8 m-85 -80.75 -14.8 57.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.527 -0.761 . . . . 0.0 113.015 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.552 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 4.8 m120 90.08 145.49 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 122.528 0.331 . . . . 0.0 110.115 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -55.83 168.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.113 1.875 . . . . 0.0 112.562 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.3 t -113.16 130.87 56.07 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.853 0.461 . . . . 0.0 111.23 0.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.519 ' NE1' ' HD3' ' A' ' 87' ' ' LYS . 27.4 m95 -112.28 135.83 52.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.021 0.439 . . . . 0.0 111.469 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.56 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . 14.7 m-70 -111.97 150.26 30.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -150.76 150.95 31.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.844 0.831 . . . . 0.0 113.183 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.437 HG22 ' CE2' ' A' ' 62' ' ' PHE . 57.1 mt -151.71 136.06 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.196 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.26 136.35 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.373 . . . . 0.0 111.374 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.421 ' HA2' ' OE1' ' A' ' 35' ' ' GLU . . . 179.56 -131.75 1.72 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.56 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 37.4 ptt85 -179.84 44.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.647 0.26 . . . . 0.0 111.477 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 162.9 82.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.033 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.483 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 2.2 p90 -166.61 130.47 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.544 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.73 136.9 12.94 Favored Glycine 0 CA--C 1.511 -0.195 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' B' ' 57' ' ' ILE . 19.9 m -164.54 161.63 21.28 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' B' ' 39' ' ' ALA . 12.9 m-85 -123.14 148.71 45.42 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.84 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 43.5 t -157.1 162.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 60.9 m -125.41 140.29 52.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 73' ' ' PHE . 33.3 p80 -159.12 147.76 18.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HG3' ' ND1' ' A' ' 72' ' ' HIS . 24.3 pt-20 -68.77 147.58 51.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.975 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.0 p -54.06 144.6 18.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.803 0.335 . . . . 0.0 111.375 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.623 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 67.79 34.15 4.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.306 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.451 ' ND1' ' HG3' ' A' ' 69' ' ' GLU . 58.4 m80 -155.02 52.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.51 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 43.8 t80 -166.52 144.7 5.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.221 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.505 ' CG2' ' HB3' ' A' ' 85' ' ' LEU . 9.2 tt -167.15 139.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.305 0.574 . . . . 0.0 112.184 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 82' ' ' ALA . 44.2 t80 -132.25 138.12 47.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.463 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' CE2' ' HA ' ' A' ' 22' ' ' VAL . 7.5 p90 -167.69 141.55 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.473 ' CZ ' ' CZ ' ' C' ' 10' ' ' ARG . 65.0 m-85 -81.4 151.32 27.98 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.481 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 28.9 tp -162.98 134.89 5.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.45 -67.88 0.25 Allowed Glycine 0 C--N 1.334 0.451 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.31 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 39.1 tt0 -177.81 34.11 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.056 0.455 . . . . 0.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 31.2 m -163.24 140.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' CB ' ' CD1' ' A' ' 77' ' ' TYR . . . -82.43 125.32 30.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.372 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' A' ' 83' ' ' ILE . 2.0 mp -105.33 134.05 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.688 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.4 tp -119.93 122.2 40.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.479 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.505 ' HB3' ' CG2' ' A' ' 74' ' ' ILE . 58.8 tp -109.08 141.65 40.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 111.232 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.56 ' HB2' ' HB2' ' A' ' 55' ' ' HIS . 20.4 m-85 -133.83 154.8 50.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.544 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.519 ' HD3' ' NE1' ' A' ' 54' ' ' TRP . 18.0 tptm -152.61 121.36 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.1 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.428 ' N ' ' HD2' ' A' ' 87' ' ' LYS . 50.7 m -121.8 134.51 54.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.006 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.453 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 79.8 m -59.93 -43.96 94.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -158.6 134.24 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' B' ' 4' ' ' ARG . 7.2 tpm_? -61.07 121.7 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.462 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.2 -132.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . 65.48 126.4 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' B' ' 77' ' ' TYR . 27.2 m -84.45 139.69 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.009 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.457 HG12 ' HB3' ' B' ' 76' ' ' PHE . 18.5 mt -113.88 143.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -137.37 9.66 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.839 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.432 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 75.4 m-20 -162.17 42.34 0.13 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.86 134.58 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.726 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -175.52 69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.714 0.292 . . . . 0.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.883 ' O ' ' HB2' ' B' ' 17' ' ' MET . 23.6 ptm -176.37 54.92 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.738 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 33.5 t 62.75 135.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 110.986 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.424 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 16.4 pt-20 -54.0 -46.1 71.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.088 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.97 -44.97 87.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.428 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.883 ' HB2' ' O ' ' B' ' 13' ' ' MET . 66.4 mtt -63.25 -50.99 68.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 14' ' ' SER . 18.3 pt20 -61.89 -40.58 95.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.852 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -68.98 -37.75 78.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.825 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.87 -36.89 85.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.696 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -67.36 -44.33 79.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.968 0.413 . . . . 0.0 110.073 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.473 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 47.8 t -64.49 -45.96 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.365 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.32 -43.76 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.145 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.57 -35.91 82.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.963 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.62 83.57 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.275 0.559 . . . . 0.0 109.99 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.401 ' CG2' ' NH1' ' B' ' 4' ' ' ARG . 95.5 m -63.34 -45.66 90.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.554 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.43 -44.49 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.432 ' CB ' ' HA ' ' B' ' 38' ' ' ILE . . . -58.2 -43.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.713 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' B' ' 33' ' ' ASN . 43.8 mt -56.91 -43.31 81.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.922 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.16 -31.29 71.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.421 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 68.1 mttm -78.01 -37.59 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.482 ' O ' ' HB3' ' B' ' 33' ' ' ASN . 66.7 m-85 -130.3 -49.19 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.652 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' B' ' 32' ' ' TYR . 50.1 t30 79.03 43.62 0.07 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.375 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' B' ' 32' ' ' TYR . 3.0 mp -140.21 132.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' B' ' 36' ' ' LYS . 13.5 pm0 -46.3 -38.29 8.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.412 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.407 ' N ' ' HG2' ' B' ' 35' ' ' GLU . 18.1 ttpp -63.99 -54.31 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.457 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 59.9 m-20 -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.699 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.432 ' HA ' ' CB ' ' B' ' 28' ' ' ALA . 71.1 mt -48.43 -40.5 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 110.649 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . 0.413 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -67.57 -36.72 81.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.21 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.31 -53.81 53.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.728 0.299 . . . . 0.0 111.303 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.421 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 78.5 m-70 -60.49 -57.41 12.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.986 0.422 . . . . 0.0 111.532 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.446 HG23 ' CE2' ' B' ' 46' ' ' PHE . 63.9 mt -56.14 -41.01 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.068 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.489 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 6.6 ttpm? -59.36 -56.49 21.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.28 -45.69 90.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -53.61 -46.48 70.42 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.53 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.522 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 39.0 m-85 -80.35 -44.36 19.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -60.05 -36.66 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.374 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -81.49 -40.31 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -79.29 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.712 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.7 m-85 -84.28 -16.21 43.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 60.7 m-20 92.22 142.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.341 0 C-N-CA 122.725 0.41 . . . . 0.0 110.105 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.439 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -58.72 171.76 1.86 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.394 2.063 . . . . 0.0 112.737 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.439 ' HA ' ' CB ' ' B' ' 52' ' ' PRO . 12.8 t -116.19 113.79 23.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.751 0.42 . . . . 0.0 111.109 0.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.621 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.2 m95 -91.25 129.02 37.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 112.302 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.475 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 59.8 m-70 -103.01 133.12 48.66 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 50.2 t -127.32 138.77 53.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.09 0.472 . . . . 0.0 112.037 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.477 ' HB ' ' HB3' ' B' ' 84' ' ' LEU . 29.9 mm -131.4 139.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.739 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 45.3 t -153.87 133.54 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.939 0.399 . . . . 0.0 111.592 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.449 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 170.48 -145.24 8.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.66 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 17.7 mmm180 -162.29 36.99 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 170.56 79.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' B' ' 62' ' ' PHE . 21.2 p90 -168.56 133.7 1.69 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.187 0.517 . . . . 0.0 112.281 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.14 131.65 10.7 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 52.7 m -115.16 137.32 52.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.44 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 2.6 t80 -151.55 117.15 5.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 25.5 t -156.48 170.14 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 92.0 m -124.42 141.98 51.66 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.414 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 30.3 p80 -162.41 151.72 15.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.927 0.394 . . . . 0.0 111.871 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -60.52 148.13 38.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.007 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.6 p -62.39 154.24 28.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.053 0.454 . . . . 0.0 111.668 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.712 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 66.15 38.75 4.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.817 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 86.7 m-70 -163.42 69.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.833 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.538 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.3 t80 -169.93 142.31 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' B' ' 18' ' ' GLN . 6.8 tt -159.63 140.73 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.255 0.55 . . . . 0.0 112.322 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.432 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 45.5 t80 -134.17 135.41 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.362 -0.836 . . . . 0.0 108.939 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' B' ' 22' ' ' VAL . 9.8 p90 -166.52 140.28 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.97 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.497 ' CD1' ' NH1' ' B' ' 60' ' ' ARG . 58.9 m-85 -88.96 148.64 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.264 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.474 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 22.3 tp -159.62 134.96 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.618 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.59 -65.3 0.28 Allowed Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.939 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.414 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 26.0 pt20 178.1 36.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.935 0.398 . . . . 0.0 110.332 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 26.8 m -159.61 137.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.097 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -77.37 143.52 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.647 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.503 HD11 ' N ' ' B' ' 83' ' ' ILE . 4.3 mp -126.5 138.74 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . 0.477 ' HB3' ' HB ' ' B' ' 57' ' ' ILE . 46.6 tp -135.6 145.95 47.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' B' ' 46' ' ' PHE . 61.9 tp -157.26 145.41 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.329 . . . . 0.0 111.352 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.538 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 14.2 p90 -178.17 130.13 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -89.4 145.56 25.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.913 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t -115.25 120.83 40.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.677 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.459 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -99.38 135.79 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 1.1 m-20 -74.34 121.98 22.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.448 HG22 ' CZ ' ' A' ' 86' ' ' PHE . 11.2 t -86.8 136.25 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.18 136.89 11.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.21 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -147.88 167.54 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.132 0.492 . . . . 0.0 111.631 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.544 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.0 pt20 -160.49 69.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 50.0 t -71.47 141.41 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.793 ' CB ' ' N ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.473 ' CZ ' ' CZ ' ' A' ' 77' ' ' TYR . 13.9 ptp180 -91.07 -41.91 10.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 0.0 111.357 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . 0.557 ' C ' ' H ' ' C' ' 13' ' ' ASP . 15.1 m-20 64.54 39.38 6.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 82.0 mt 67.29 -17.52 0.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.485 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . 0.557 ' H ' ' C ' ' C' ' 11' ' ' ASP . 26.0 m-20 64.05 133.69 0.02 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.853 0.358 . . . . 0.0 110.905 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.58 -47.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.473 ' HB3' ' NZ ' ' C' ' 15' ' ' LYS . 3.5 mmmp? -60.52 -40.25 90.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 110.665 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 44.4 m -165.63 134.25 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.553 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -58.49 135.29 57.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.037 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.729 179.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.722 0.296 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -155.15 136.79 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.108 0.48 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.53 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.3 p-10 -70.98 125.56 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.688 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.472 ' N ' ' O ' ' B' ' 66' ' ' VAL . 8.9 t -74.44 139.51 44.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.436 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -138.33 117.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.073 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 45.3 pt -161.16 170.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.36 . . . . 0.0 110.725 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -144.37 111.8 6.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.421 HG22 ' CE1' ' B' ' 62' ' ' PHE . 60.1 t -81.8 140.53 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.003 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -157.74 132.84 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -60.65 129.6 42.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.815 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -161.54 38.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 78.3 mt -84.72 47.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -159.73 45.69 0.25 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.05 -130.42 32.89 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.611 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . 0.486 ' NZ ' ' HB3' ' D' ' 15' ' ' LYS . 8.4 mtpm? -155.83 143.53 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.707 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' D' ' 17' ' ' HIS . 48.9 m 65.52 47.75 2.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.643 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' D' ' 16' ' ' SER . 92.6 m-70 -160.13 -41.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.736 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.078 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.702 0.287 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 p -178.27 44.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.962 0.411 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.69 44.96 13.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 36.3 mmt180 57.61 43.82 21.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.012 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 22.2 tptm 72.35 -39.18 0.44 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.651 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.498 ' CB ' ' HB2' ' A' ' 78' ' ' LEU . . . -52.79 129.57 30.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.723 0.296 . . . . 0.0 111.567 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.441 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -98.38 136.75 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.084 0.468 . . . . 0.0 111.657 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.443 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -87.92 127.95 40.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.738 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 31.5 mmmt -81.22 -33.7 32.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.478 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -155.16 -48.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.426 ' CB ' HG21 ' A' ' 8' ' ' ILE . . . 64.12 145.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.636 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 33.7 t70 -169.55 62.68 0.05 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.069 0.461 . . . . 0.0 110.913 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.4 ptp -174.82 166.77 3.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -41.24 140.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.594 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -52.53 -48.21 66.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.351 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.3 -39.04 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.69 -51.67 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -60.72 -39.07 87.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.818 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.67 -44.1 87.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.578 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -60.79 -37.98 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.3 m -66.43 -42.54 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.962 0.41 . . . . 0.0 109.997 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 ' CG2' ' CE2' ' A' ' 76' ' ' PHE . 43.8 t -64.4 -45.91 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.211 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -64.51 -48.08 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.9 m -65.51 -34.61 78.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.356 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -70.76 -37.49 73.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.163 0.506 . . . . 0.0 109.769 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.9 m -65.09 -50.2 67.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.448 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 10.7 mm100 -59.29 -36.34 75.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.845 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.49 ' HB3' ' CG2' ' A' ' 38' ' ' ILE . . . -58.48 -48.74 79.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.004 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.34 -46.76 87.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.531 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 11.3 pt-20 -66.66 -28.21 68.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 9.0 mtpm? -85.67 -41.53 15.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.42 -46.39 2.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.84 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 66.9 49.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.993 0.425 . . . . 0.0 110.35 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.583 ' O ' HG12 ' A' ' 38' ' ' ILE . 55.5 mt -149.49 114.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -41.74 -44.54 3.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.26 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -64.11 -57.41 9.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.413 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.44 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.332 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' ' 34' ' ' ILE . 4.7 mm -50.73 -53.23 14.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.79 -26.16 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.25 -57.76 8.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.823 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -64.05 -46.48 84.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.858 -179.339 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 64.7 mt -60.31 -37.62 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.11 -52.99 62.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -70.19 -43.0 71.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.904 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.61 -52.91 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.519 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.415 ' CZ ' ' OD2' ' A' ' 20' ' ' ASP . 8.1 m-85 -71.48 -44.57 64.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.639 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 8.7 t0 -54.03 -35.99 62.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 4.5 tmtt? -73.89 -49.68 23.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.352 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.73 -70.01 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.296 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.519 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 5.8 m-30 -68.77 -15.88 63.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.866 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 66.0 m-20 95.37 145.38 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 C-N-CA 122.866 0.466 . . . . 0.0 111.095 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.457 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 20.5 Cg_endo -61.2 163.16 17.74 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.689 2.259 . . . . 0.0 112.432 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.3 t -120.41 130.47 54.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.132 0.573 . . . . 0.0 110.366 0.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m95 -97.56 128.83 44.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.482 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 32.9 m-70 -95.37 129.84 42.37 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.685 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.4 m -124.75 142.72 51.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.406 0.622 . . . . 0.0 112.451 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.489 HG22 HD11 ' A' ' 57' ' ' ILE . 51.9 mt -150.37 133.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.4 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 40.3 t -153.6 140.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.81 -135.92 3.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.702 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 76.8 mtp180 -159.74 36.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 162.05 84.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.505 ' HB3' ' CD2' ' B' ' 62' ' ' PHE . 3.6 p90 -155.33 129.22 8.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.07 135.43 12.43 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 109.779 -1.329 . . . . 0.0 109.779 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.1 t -154.36 154.1 32.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.187 0.994 . . . . 0.0 113.676 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -137.93 129.74 28.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.167 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 4' ' ' THR . 15.8 t -153.73 162.3 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.4 m -108.24 153.4 23.26 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.51 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 23.7 p80 -168.11 145.52 4.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.055 0.455 . . . . 0.0 112.185 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' ND1' ' A' ' 72' ' ' HIS . 17.3 tp10 -56.8 158.92 4.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.381 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.4 p -56.15 150.39 14.19 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.264 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.66 22.97 13.37 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.799 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.502 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 53.8 m170 -126.45 67.35 1.23 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.344 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.636 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 t80 -160.85 132.52 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 111.216 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.2 tt -162.64 140.41 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.498 ' CE2' ' HG3' ' A' ' 9' ' ' LYS . 38.0 t80 -152.52 136.2 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.676 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' CE2' ' CG2' ' A' ' 22' ' ' VAL . 2.0 p90 -168.99 140.85 2.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 0.0 111.902 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 7.3 m-85 -87.1 158.8 19.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.106 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' HB2' ' CB ' ' A' ' 6' ' ' ALA . 24.5 tp -165.2 133.97 3.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 111.668 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.55 -65.31 0.28 Allowed Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.094 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 179.4 35.96 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.5 m -158.41 136.35 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.96 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.75 128.03 34.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.04 136.39 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.424 ' HB3' ' HB ' ' A' ' 57' ' ' ILE . 64.3 tp -127.57 143.94 51.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.771 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 53.0 tp -155.19 142.26 19.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.053 0.454 . . . . 0.0 111.094 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 3.3 p90 -176.05 124.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.052 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 21.8 ptmt -94.12 170.61 9.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 0.0 111.85 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.1 m -151.81 133.56 14.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.607 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.509 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.881 0.372 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 78.8 m -153.97 135.17 14.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -60.58 137.63 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.475 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 1.4 mpp_? 60.04 45.87 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.5 -34.07 70.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.704 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . -45.44 132.69 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.782 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.493 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 22.4 m -100.23 137.05 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.989 0.424 . . . . 0.0 111.63 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -84.34 141.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.963 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -128.54 -38.85 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.461 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -132.09 56.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 111.17 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.04 128.41 36.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.77 60.93 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.132 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.2 ttm -177.97 158.14 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 38.0 t -46.97 140.75 4.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.442 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.466 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 50.5 mt-10 -52.4 -44.65 65.47 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.863 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.461 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -59.29 -44.98 92.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.676 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.76 -46.15 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.294 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 16.7 pt20 -65.61 -36.69 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.517 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.461 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.5 pt20 -71.68 -39.13 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.838 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -69.83 -36.97 76.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.694 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.4 m -67.82 -42.61 81.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.923 0.392 . . . . 0.0 110.199 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.432 ' CG2' ' CE2' ' B' ' 76' ' ' PHE . 64.8 t -65.44 -46.87 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.1 -42.46 84.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.27 -35.36 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.614 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.531 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -68.39 -37.66 80.6 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.794 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.197 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.417 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 99.4 mm-40 -60.35 -40.82 92.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.177 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.49 ' HB1' HG12 ' B' ' 38' ' ' ILE . . . -57.13 -43.38 82.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.424 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 49.3 mt -62.56 -48.36 79.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.597 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 10.9 pt-20 -65.23 -29.06 69.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.746 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 21.8 ptmt -89.41 -37.99 14.42 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.426 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 42.4 m-85 -111.37 -43.75 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 67.19 41.06 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.39 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.534 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -151.26 124.14 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.58 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -48.85 -46.86 42.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.186 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 0.1 OUTLIER -60.95 -48.93 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -56.68 -41.96 78.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 111.202 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.534 HG13 ' O ' ' B' ' 34' ' ' ILE . 64.9 mt -54.38 -54.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.244 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.55 -28.19 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.386 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.46 -64.16 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.445 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -63.75 -45.32 90.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.592 -178.688 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.531 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 83.3 mt -59.75 -43.32 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.225 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.486 ' HD3' ' C ' ' B' ' 43' ' ' LYS . 5.8 tmtm? -57.83 -51.96 67.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.774 0.321 . . . . 0.0 110.514 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.54 -53.47 57.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.021 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.407 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.6 m-85 -70.15 -42.49 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.057 0.456 . . . . 0.0 110.825 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.8 t0 -55.03 -41.83 71.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -77.03 -46.95 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.51 -62.35 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.479 0.657 . . . . 0.0 112.137 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.4 m-85 -77.39 -15.71 59.23 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.991 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.53 143.18 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.405 0 C-N-CA 122.93 0.492 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.426 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 30.8 Cg_endo -63.85 167.07 14.53 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.48 2.12 . . . . 0.0 112.653 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.3 t -116.08 127.02 54.52 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.84 0.456 . . . . 0.0 110.643 -0.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.529 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 28.7 m95 -99.21 130.96 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 0.0 112.255 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.437 ' ND1' HG13 ' A' ' 66' ' ' VAL . 15.7 m-70 -110.59 133.6 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.839 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 49.3 t -134.43 153.53 51.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.415 0.626 . . . . 0.0 112.624 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.419 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 55.7 mt -149.55 143.41 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.169 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -155.25 136.35 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.271 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.42 -132.21 1.81 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.019 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 24.1 ptt-85 -177.78 36.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 111.52 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 166.13 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.99 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.505 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.1 p90 -173.38 141.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.383 0.611 . . . . 0.0 112.435 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -106.27 141.12 15.41 Favored Glycine 0 C--N 1.329 0.148 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.434 ' HB2' HG12 ' A' ' 57' ' ' ILE . 66.5 p -156.62 153.76 29.09 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -127.18 143.35 51.28 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.696 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.649 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 38.2 t -157.21 162.92 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-O 120.474 0.178 . . . . 0.0 111.297 -178.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.466 ' CG2' ' HG2' ' D' ' 2' ' ' LYS . 51.6 m -111.37 142.58 43.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.448 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 29.3 p80 -157.91 135.34 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 111.89 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -55.41 144.51 25.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.192 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 25.1 p -53.08 146.88 10.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.954 0.407 . . . . 0.0 111.556 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm 64.27 37.18 8.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.585 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -157.51 69.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.814 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.631 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 37.0 t80 -163.97 138.53 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.519 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.3 tt -158.66 135.95 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.312 0.577 . . . . 0.0 112.036 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -137.72 134.09 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.087 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.493 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 9.0 p90 -165.87 143.24 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.141 0.496 . . . . 0.0 112.053 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 6.1 m-85 -76.65 145.99 38.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.979 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.488 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 36.2 tp -168.59 141.29 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.834 0.349 . . . . 0.0 110.95 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' B' ' 80' ' ' GLN . . . 53.71 46.59 66.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.837 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.426 ' HB2' ' CD2' ' D' ' 12' ' ' LEU . 17.5 pt20 47.34 39.55 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 35.3 m -159.28 137.28 2.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.625 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.23 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.097 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 53.6 mt -126.97 139.27 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 59.1 tp -136.44 142.55 43.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.736 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 61.0 tp -157.41 144.27 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.631 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 10.3 p90 179.63 134.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.529 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.3 ptmt -97.08 170.4 9.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 111.356 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 52.2 m -148.36 136.12 20.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.457 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tmm? . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 33.9 mmtp -157.14 135.53 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.4 p-10 -93.33 115.63 28.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.594 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 54.2 m -69.86 139.94 53.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.55 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.439 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -152.57 122.35 1.29 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.834 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.466 HD11 HG23 ' C' ' 8' ' ' VAL . 2.6 pp -161.47 138.54 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 111.98 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' C' ' 7' ' ' GLN . 22.2 pt20 -109.1 74.84 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.466 HG23 HD11 ' C' ' 6' ' ' ILE . 41.6 t -69.13 136.71 25.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.796 ' CB ' ' N ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.602 -0.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 58.6 ttp85 -65.8 131.29 45.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.028 0.442 . . . . 0.0 111.338 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -160.42 41.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.815 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 mt -82.78 40.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.511 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' C' ' 13' ' ' ASP . 9.8 t70 -83.88 57.61 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.004 0.431 . . . . 0.0 110.391 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.04 -135.25 29.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.325 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.584 ' HA ' ' HE3' ' C' ' 15' ' ' LYS . 1.7 tpmt? -73.97 58.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t 61.81 141.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.984 0.421 . . . . 0.0 111.304 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -174.56 -45.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.733 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.858 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.749 0.309 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.551 ' HD2' ' N ' ' D' ' 2' ' ' LYS . 0.0 OUTLIER -170.21 131.59 0.99 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.397 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.649 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.3 p-10 -164.42 111.59 1.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.596 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.491 ' N ' ' O ' ' B' ' 66' ' ' VAL . 14.5 t -74.76 144.02 43.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.288 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.82 129.66 3.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.099 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.403 ' O ' ' CD1' ' D' ' 6' ' ' ILE . 2.4 pp -160.84 143.41 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.296 0.569 . . . . 0.0 112.254 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.459 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 53.0 tt0 -122.61 116.31 23.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.465 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.74 143.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.966 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -173.46 102.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.633 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 179.6 135.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . 0.567 ' C ' ' H ' ' D' ' 13' ' ' ASP . 1.5 m-20 -85.94 43.94 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.416 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' D' ' 12' ' ' LEU . 4.5 mp 67.49 -34.7 0.24 Allowed 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.162 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . 0.567 ' H ' ' C ' ' D' ' 11' ' ' ASP . 28.5 m-20 62.44 132.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.96 0.41 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.86 -141.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.707 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -68.95 -42.8 76.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 53.0 m -56.29 129.56 40.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -63.5 138.84 58.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.479 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.75 0.31 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.7 m -153.92 134.21 13.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.744 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.11 133.88 56.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.67 ' O ' ' HD2' ' A' ' 4' ' ' ARG . 4.0 ppt_? -58.45 142.89 47.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.172 0.51 . . . . 0.0 111.406 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -66.22 -128.75 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.849 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.526 ' HB1' ' HB2' ' A' ' 78' ' ' LEU . . . 65.54 124.57 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.73 0.3 . . . . 0.0 111.38 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.1 m -104.25 136.85 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.969 0.414 . . . . 0.0 111.775 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.5 mp -85.28 140.58 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.851 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -124.92 -33.86 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.402 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -138.66 58.85 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 111.326 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.11 140.42 38.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -175.53 59.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.424 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.0 ttm -177.47 157.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.692 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -46.32 140.99 3.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 50.5 mt-10 -53.5 -45.14 69.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.862 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 12.5 pt-20 -62.95 -40.71 98.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.544 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtt -65.07 -46.05 82.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.741 0.305 . . . . 0.0 111.308 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 15.6 pt20 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.539 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 18.6 pt20 -70.19 -38.72 75.41 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.342 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.57 -39.83 95.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.5 m -66.08 -45.01 82.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 0.0 110.165 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' A' ' 76' ' ' PHE . 47.0 t -63.04 -45.83 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.533 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -66.42 -45.56 79.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.3 m -65.3 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.041 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -70.64 -40.41 73.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.227 0.537 . . . . 0.0 109.683 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.4 m -60.42 -48.4 81.93 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.293 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -59.71 -36.86 77.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.705 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.525 ' HB1' HG12 ' A' ' 38' ' ' ILE . . . -58.58 -41.64 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.962 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' CD2' HD11 ' A' ' 38' ' ' ILE . 51.3 mt -65.56 -45.96 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.997 0.427 . . . . 0.0 110.982 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.261 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -87.86 -38.33 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.961 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 2.6 m-85 -109.93 -46.86 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 111.666 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 t30 64.8 42.93 4.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.102 0.477 . . . . 0.0 110.606 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.3 mt -152.82 116.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.116 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -43.95 -46.56 8.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.081 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' HD3' ' NE2' ' D' ' 7' ' ' GLN . 17.6 ttpp -57.73 -53.82 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 59.6 m-20 -59.66 -40.27 87.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.935 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 34' ' ' ILE . 72.5 mt -48.11 -52.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.127 0.489 . . . . 0.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.2 -30.57 69.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.214 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 -59.88 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.931 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.464 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.2 OUTLIER -66.13 -46.97 75.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 41' ' ' HIS . 54.0 mt -59.49 -38.82 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' O ' ' OD1' ' A' ' 47' ' ' ASP . 25.4 ttpp -60.23 -56.14 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.742 0.306 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.76 -42.16 99.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.83 -49.09 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.423 ' CE1' HG22 ' A' ' 42' ' ' ILE . 6.0 m-85 -68.22 -42.18 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -58.86 -38.13 78.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.027 0.442 . . . . 0.0 110.706 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -69.19 -46.8 66.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.392 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -80.68 -70.1 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 6.6 m-30 -71.64 -14.45 62.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.93 143.05 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.552 0 C-N-CA 122.852 0.461 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.62 169.24 19.2 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.55 2.167 . . . . 0.0 113.061 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.43 ' OG1' ' CG2' ' B' ' 67' ' ' THR . 14.8 t -115.7 126.47 54.14 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.582 0.353 . . . . 0.0 111.053 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.602 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.2 m95 -95.52 133.06 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 112.39 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' ND1' HG11 ' B' ' 66' ' ' VAL . 52.3 m-70 -101.38 126.76 48.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.802 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.6 m -117.77 142.19 47.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.219 0.533 . . . . 0.0 111.784 -178.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.497 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 2.8 mp -143.44 143.98 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.138 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 46.8 t -157.18 134.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.06 0.457 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.95 -135.41 2.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.531 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.604 ' O ' ' HB3' ' A' ' 61' ' ' ASN . 39.5 ptt180 -174.81 29.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.604 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 10.9 p-10 161.27 85.8 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.503 ' H ' ' HB ' ' C' ' 8' ' ' VAL . 4.1 p90 -168.66 138.56 2.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.597 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.9 135.74 16.19 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.434 ' HA ' HD13 ' B' ' 57' ' ' ILE . 37.5 t -128.92 146.77 50.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.762 0.781 . . . . 0.0 112.861 -178.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -153.07 123.4 7.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.937 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 47.1 t -158.03 165.52 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.509 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 92.1 m -110.38 151.83 26.99 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.45 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 27.4 p80 -164.22 148.09 9.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.132 0.491 . . . . 0.0 112.22 -178.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.16 144.0 57.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.2 p -55.84 148.98 15.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.685 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 62.79 37.59 12.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.796 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.453 ' HB3' ' HG3' ' A' ' 87' ' ' LYS . 66.0 m80 -156.13 49.87 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.938 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.468 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 29.3 t80 -144.96 143.14 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.988 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.2 tt -161.19 139.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.323 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.411 ' OH ' ' CZ ' ' A' ' 77' ' ' TYR . 41.0 t80 -143.28 134.43 25.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.65 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.459 ' CE2' ' CG2' ' A' ' 22' ' ' VAL . 2.1 p90 -167.71 138.14 2.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.848 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 7.0 m-85 -85.69 145.05 27.47 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.914 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.526 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 52.9 tp -170.19 145.37 2.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.55 39.74 75.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 54.18 38.27 28.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 110.809 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.7 m -156.93 131.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.13 132.27 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.437 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 83' ' ' ILE . 60.3 mt -116.82 131.81 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' HB3' ' HB ' ' A' ' 57' ' ' ILE . 55.7 tp -137.83 143.63 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.6 tp -154.9 143.47 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.486 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 12.2 p90 -179.89 130.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.602 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -100.09 170.62 8.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.204 0.526 . . . . 0.0 111.82 -178.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.0 t -139.51 137.36 35.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.04 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.488 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtm . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.765 0.317 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.3 p -178.25 45.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.6 133.17 55.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.579 ' HD3' ' N ' ' B' ' 5' ' ' LYS . 2.2 tmt_? -177.03 128.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.193 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.579 ' N ' ' HD3' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -165.34 -135.52 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.39 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . 73.29 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.071 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -93.08 136.74 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 120.916 0.389 . . . . 0.0 111.669 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.439 HD11 ' HB3' ' B' ' 76' ' ' PHE . 8.5 tp -82.4 143.35 12.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.428 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.1 mmmt -112.3 -40.43 4.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -123.18 -51.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.405 ' CB ' HG12 ' B' ' 8' ' ' ILE . . . 63.34 129.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.704 0.288 . . . . 0.0 110.666 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -178.94 64.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.042 0.448 . . . . 0.0 110.594 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.403 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 50.3 ttm -177.21 153.48 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.616 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.4 m -42.73 140.5 1.3 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 111.637 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.473 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.0 mt-10 -50.2 -49.42 52.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.867 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.514 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 24.6 pt-20 -58.2 -43.58 87.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.534 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 60.7 mtt -65.09 -45.74 83.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.172 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 16.8 pt20 -66.73 -38.87 87.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.383 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.514 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.1 pt20 -72.6 -37.28 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.286 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.3 t70 -70.11 -35.61 74.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -45.03 75.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.68 -46.71 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.322 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.59 -42.77 86.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.079 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -62.51 -34.07 76.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.901 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.54 76.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.182 0.515 . . . . 0.0 109.948 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -62.53 -47.17 85.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -59.74 -40.11 87.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.284 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.443 ' CB ' ' CD2' ' B' ' 41' ' ' HIS . . . -58.01 -46.25 85.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.766 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' B' ' 33' ' ' ASN . 46.3 mt -58.24 -42.81 87.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 110.574 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.467 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 62.6 mttp -81.16 -46.82 14.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.68 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.424 ' CD2' ' OD2' ' B' ' 37' ' ' ASP . 84.2 m-85 -120.79 -39.72 2.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.655 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 29' ' ' LEU . 49.5 t30 67.74 47.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.486 . . . . 0.0 110.023 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 38' ' ' ILE . 61.6 mt -143.67 133.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.606 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -46.39 -51.02 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.45 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -57.07 -56.55 20.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.657 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.424 ' OD2' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -52.82 -43.21 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.31 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 34' ' ' ILE . 82.0 mt -48.19 -43.36 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.962 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.08 76.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.242 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.95 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . 0.467 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 60.5 m-70 -64.49 -58.48 6.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.09 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' CD2' ' B' ' 85' ' ' LEU . 60.2 mt -64.61 -43.86 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' B' ' 43' ' ' LYS . 1.1 tmtp? -64.04 -56.64 13.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.21 -51.31 69.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 5.2 mm-40 -55.08 -47.05 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.34 . . . . 0.0 111.585 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.6 m-85 -73.31 -41.22 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 0.8 OUTLIER -59.97 -39.36 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -70.51 -43.89 68.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 26.5 mtpp -82.29 -66.55 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.9 m-30 -73.42 -16.05 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 60.8 m-20 92.32 140.87 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 122.813 0.445 . . . . 0.0 110.709 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.423 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 39.4 Cg_endo -66.67 171.08 11.36 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.555 2.17 . . . . 0.0 112.825 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.43 HG22 ' CE1' ' B' ' 55' ' ' HIS . 12.2 t -115.67 123.98 49.73 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.732 0.413 . . . . 0.0 110.915 0.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.638 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.1 m95 -91.6 126.82 36.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.471 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 28.5 m-70 -95.61 136.58 35.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.96 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 50.0 t -142.38 142.63 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.51 0.671 . . . . 0.0 112.453 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.494 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 34.3 mm -144.23 146.06 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.261 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.5 t -154.96 138.17 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.867 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.64 -141.17 4.84 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.76 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 76.3 mtp180 -154.21 27.3 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.516 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 36.4 t30 164.68 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 122.684 0.394 . . . . 0.0 110.116 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.494 ' CE2' ' CG2' ' B' ' 57' ' ' ILE . 3.3 p90 -156.18 130.75 8.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.133 0.492 . . . . 0.0 111.693 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -110.98 137.67 14.46 Favored Glycine 0 C--O 1.229 -0.2 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 78.1 p -163.39 167.84 21.16 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' D' ' 4' ' ' THR . 11.2 m-85 -130.86 145.78 52.1 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.132 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 21.6 t -158.28 161.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.837 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.43 ' CG2' ' OG1' ' A' ' 53' ' ' THR . 8.9 t -112.45 156.31 22.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.43 ' CE1' ' HE3' ' D' ' 2' ' ' LYS . 22.7 p80 -167.78 146.69 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -62.03 148.2 44.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.007 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 76.3 p -54.74 151.7 8.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.9 mmpt? 61.01 39.38 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.32 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.427 ' CE1' ' HD3' ' B' ' 87' ' ' LYS . 90.9 m-70 -157.47 69.59 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.538 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 42.1 t80 -163.77 138.32 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 11.4 tt -161.19 138.2 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.0 111.668 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.436 ' OH ' ' CG2' ' D' ' 8' ' ' VAL . 3.9 t80 -141.48 137.82 32.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.436 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.3 p90 -170.3 142.42 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.941 0.4 . . . . 0.0 112.024 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.472 ' CE2' ' HD2' ' D' ' 10' ' ' ARG . 42.7 m-85 -79.67 148.81 31.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 40.2 tp -165.92 138.87 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.47 40.51 69.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.353 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 57.14 37.77 28.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.785 0.326 . . . . 0.0 110.928 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' B' ' 78' ' ' LEU . 33.5 m -156.4 137.33 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 132.72 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.402 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.402 HD11 HG21 ' B' ' 83' ' ' ILE . 57.8 mt -119.18 142.19 35.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.553 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.2 tp -138.87 137.33 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.147 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.427 ' CD2' ' CG2' ' B' ' 42' ' ' ILE . 50.8 tp -152.23 138.52 18.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.538 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -177.89 124.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.638 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.1 ptmm? -87.05 170.39 11.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.29 0.567 . . . . 0.0 112.337 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 48.2 m -154.58 131.11 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.632 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.508 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.823 0.344 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 65.4 mttp -157.3 137.62 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.185 0.517 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 46.0 p-10 -87.37 124.37 33.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.17 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 66' ' ' VAL . 24.1 m -76.14 148.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.276 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.436 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -158.68 127.61 1.89 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.397 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.7 pp -160.29 140.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.063 0.459 . . . . 0.0 111.348 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.402 ' NE2' ' CG2' ' B' ' 34' ' ' ILE . 50.2 tt0 -103.93 83.94 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.641 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.503 ' HB ' ' H ' ' A' ' 62' ' ' PHE . 58.6 t -78.44 141.25 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.795 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.648 -0.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 61.85 45.11 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.67 45.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.37 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -87.02 44.94 1.21 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.719 0.295 . . . . 0.0 111.028 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -160.56 -43.77 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.017 0.436 . . . . 0.0 110.674 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.73 -119.25 0.55 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.257 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -153.83 -46.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.76 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -71.39 -48.03 52.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -68.65 -48.63 63.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.902 -179.808 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 83.5 mtp . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.764 0.316 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.43 ' HE3' ' CE1' ' B' ' 68' ' ' HIS . 28.1 mtpp -67.47 146.6 53.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.621 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.632 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 1.8 p30 -149.06 111.41 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.163 0.506 . . . . 0.0 111.769 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 66' ' ' VAL . 13.7 t -74.64 148.55 40.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.9 129.28 2.94 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.442 ' O ' ' HA2' ' B' ' 63' ' ' GLY . 2.5 pp -160.24 138.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 0.0 111.775 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.47 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 23.6 pt20 -117.79 80.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.13 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.436 ' CG2' ' OH ' ' B' ' 75' ' ' TYR . 29.0 t -69.58 141.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.928 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -177.05 54.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.472 ' HD2' ' CE2' ' B' ' 77' ' ' TYR . 55.1 mtp85 -61.31 134.11 56.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -85.13 50.96 2.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.001 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 87.0 mt -76.94 53.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.735 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -173.97 41.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.396 . . . . 0.0 111.235 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.83 44.15 87.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.292 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' D' ' 15' ' ' LYS . 3.4 mmmp? 58.26 57.52 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' D' ' 17' ' ' HIS . 80.2 p -168.5 140.39 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.074 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' D' ' 16' ' ' SER . 90.1 m-70 69.52 -52.44 0.61 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.772 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.929 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 2' ' ' CYS . 26.1 ptm . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.745 0.307 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 1' ' ' MET . 26.9 p -178.12 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 63.23 131.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 10.4 mpt_? 61.88 135.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -62.78 -124.43 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 70.08 123.52 0.03 OUTLIER 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.2 m -87.41 139.05 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.432 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.463 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -84.13 117.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.212 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -76.14 -46.03 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.573 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -159.7 107.22 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.724 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.48 148.22 27.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 9.8 t70 -165.87 59.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.6 ptp 179.38 -163.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -68.39 137.28 54.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.856 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -56.91 -43.83 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.67 -44.24 93.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.01 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.01 -43.58 86.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.947 0.403 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' HA ' ' CD1' ' A' ' 74' ' ' ILE . 62.8 mt-30 -59.42 -45.77 90.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.98 -44.43 96.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.917 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.77 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -67.73 -44.01 78.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.171 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.425 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 59.8 t -65.8 -45.57 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.544 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.43 -41.59 84.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.218 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.66 -34.19 77.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.042 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -70.42 -40.5 73.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 109.787 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.6 m -57.38 -45.27 84.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.061 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.565 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 25.9 mt-30 -60.53 -44.56 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.476 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.496 ' HB2' HG12 ' A' ' 38' ' ' ILE . . . -50.46 -40.31 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.981 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' CD2' ' CD1' ' A' ' 38' ' ' ILE . 61.8 mt -65.33 -51.54 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.0 -29.28 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 11.5 mptt -82.04 -32.25 30.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.931 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -133.71 -43.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.008 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 22.9 t-20 66.53 49.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.575 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.2 mt -149.45 114.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.183 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' OE2' ' HA2' ' A' ' 59' ' ' GLY . 50.6 mt-10 -43.45 -49.25 7.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.764 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HD3' ' HB3' ' D' ' 7' ' ' GLN . 33.8 ttpt -56.88 -56.94 15.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -58.26 -43.73 88.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.056 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 34' ' ' ILE . 85.1 mt -47.98 -53.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 111.383 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.63 78.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -67.19 -60.32 2.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.507 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 77.7 mt -58.56 -54.52 32.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.558 ' HD3' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.83 -32.78 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.201 -179.466 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.65 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 59.0 mtpt -65.82 -47.1 76.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.492 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -61.3 -42.73 99.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.798 0.332 . . . . 0.0 110.969 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.43 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 10.0 m-85 -71.11 -42.41 69.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.65 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.2 p30 -64.4 -31.78 73.13 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -73.81 -40.46 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.134 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -82.68 -50.82 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.8 m-85 -88.37 -15.34 35.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 40.4 t30 94.13 134.32 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 122.849 0.459 . . . . 0.0 110.343 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.83 167.59 2.93 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.723 2.282 . . . . 0.0 112.797 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.2 t -114.73 134.62 54.95 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.741 0.416 . . . . 0.0 111.012 0.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.549 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 32.0 m95 -101.16 128.97 47.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 112.451 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -104.06 136.87 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 38.6 t -144.12 152.43 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.6 mt -148.19 150.51 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.976 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -154.94 132.18 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.997 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.422 ' HA2' ' OE2' ' A' ' 35' ' ' GLU . . . -178.16 -133.03 1.8 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.315 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 8.3 ptm180 -176.36 41.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 157.71 85.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 18.4 p90 -172.72 139.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.314 0.578 . . . . 0.0 112.495 -178.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -88.73 132.87 11.47 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.411 ' HB2' HD12 ' C' ' 6' ' ' ILE . 47.3 m -125.66 142.26 51.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.451 0.626 . . . . 0.0 112.605 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -149.0 121.79 8.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.845 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' C' ' 4' ' ' THR . 25.2 t -158.82 163.85 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.853 -177.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.678 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 44.1 p -95.63 165.39 12.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.435 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 23.7 p80 -167.66 143.67 4.06 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.7 144.95 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.504 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 73.0 p -53.84 147.45 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.618 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 74.2 mmtt 61.29 36.61 17.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.472 ' CE1' ' CE ' ' A' ' 87' ' ' LYS . 83.0 m-70 -155.06 54.56 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.326 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.515 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.4 t80 -145.9 137.05 24.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.393 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 18' ' ' GLN . 9.9 tt -160.45 141.2 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 121.071 0.462 . . . . 0.0 111.704 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.434 ' CE2' HG12 ' C' ' 6' ' ' ILE . 3.8 t80 -145.68 141.01 27.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.814 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 22' ' ' VAL . 2.1 p90 -169.18 138.81 2.13 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.047 0.451 . . . . 0.0 112.148 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.19 154.25 20.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.356 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 34.5 tp -154.97 131.03 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.015 0.436 . . . . 0.0 111.498 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 80' ' ' GLN . . . 65.5 -81.56 0.08 OUTLIER Glycine 0 CA--C 1.504 -0.627 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 79' ' ' GLY . 77.9 mt-30 -162.5 40.94 0.12 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.934 0.397 . . . . 0.0 110.114 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.38 133.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.194 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.38 137.77 40.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.463 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.7 mt -122.12 142.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.5 tp -143.49 139.35 29.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.0 tp -152.26 141.57 21.5 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.435 ' CD2' ' HB3' ' A' ' 68' ' ' HIS . 27.9 p90 -177.11 132.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.76 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.8 pttt -97.12 170.4 9.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 m -146.37 135.71 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.796 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.403 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' B' ' 1' ' ' MET . 50.9 ttp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.971 0.415 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -177.54 133.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.025 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 62.27 126.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 50.25 32.15 5.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.226 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.619 ' HD3' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER 49.9 -136.22 1.21 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.21 -179.778 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . 59.27 129.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.769 0.319 . . . . 0.0 111.519 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.6 m -95.2 136.24 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 120.946 0.403 . . . . 0.0 111.384 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -88.5 130.27 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.402 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.411 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.4 mmmt -86.63 -37.81 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.026 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -172.19 72.0 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.288 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.3 148.49 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.184 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.5 t70 -165.09 62.75 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.936 0.398 . . . . 0.0 111.343 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 21.2 ptm -178.13 -169.56 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' SER . . . . . 0.41 ' HB2' ' HG3' ' B' ' 17' ' ' MET . 59.5 m -64.33 141.27 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.418 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 24.5 pt-20 -59.16 -43.31 92.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.298 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.46 -37.96 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.068 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.41 ' HG3' ' HB2' ' B' ' 14' ' ' SER . 65.3 mtt -66.42 -49.52 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.743 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.4 pt20 -66.36 -40.42 89.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.695 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.8 -37.45 73.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.431 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -70.75 -33.56 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.276 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -68.76 -46.44 68.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.448 ' CG2' ' CZ ' ' B' ' 76' ' ' PHE . 60.5 t -60.7 -47.02 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.276 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.98 -46.56 77.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.111 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.33 -32.95 74.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.759 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.86 84.13 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 109.671 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -62.34 -46.41 88.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -57.54 -44.63 85.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.513 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.37 -44.82 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.931 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 33' ' ' ASN . 60.9 mt -58.12 -43.64 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.0 -31.2 71.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -80.36 -39.56 28.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.575 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 56.4 m-85 -127.71 -42.75 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' LEU . 23.4 t-20 70.23 50.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.431 ' O ' HG13 ' B' ' 38' ' ' ILE . 50.1 mt -147.62 131.4 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.523 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -46.6 -46.89 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.879 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.98 -57.2 13.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 111.304 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -53.43 -43.02 67.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.431 HG13 ' O ' ' B' ' 34' ' ' ILE . 75.2 mt -48.52 -40.6 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.98 77.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.096 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -49.78 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.544 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -63.85 -54.43 35.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.08 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 58.1 mt -58.55 -50.01 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.529 ' C ' ' HD2' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -61.62 -55.25 32.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -57.91 -45.6 86.26 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -56.16 -47.11 78.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.558 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 38.0 m-85 -71.19 -45.04 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -31.89 66.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 0.0 110.76 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.513 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 4.3 tmtt? -76.58 -41.82 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.042 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -85.66 -57.48 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.1 m-85 -84.51 -21.24 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.9 m-20 93.6 142.48 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 122.644 0.378 . . . . 0.0 110.281 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.21 168.83 1.78 Allowed 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.546 2.164 . . . . 0.0 113.123 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.431 HG21 ' CE1' ' B' ' 55' ' ' HIS . 15.2 t -118.51 120.08 36.45 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 111.34 0.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.596 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 22.4 m95 -94.26 135.92 35.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.927 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.49 ' ND1' HG12 ' A' ' 66' ' ' VAL . 20.8 m-70 -111.13 139.43 46.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.1 t -140.61 154.21 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.415 0.626 . . . . 0.0 112.599 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.439 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 53.6 mt -149.23 143.24 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.452 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.428 ' N ' HG23 ' B' ' 57' ' ' ILE . 49.0 t -144.31 133.25 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 111.499 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' B' ' 60' ' ' ARG . . . 169.57 -135.12 3.43 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.879 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' B' ' 60' ' ' ARG . 52.3 ttm-85 175.04 46.94 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 110.925 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 38.7 t30 172.23 70.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.359 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.571 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 19.9 p90 -168.11 143.63 3.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.13 135.44 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.4 m -136.91 147.23 46.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 118.102 0.951 . . . . 0.0 113.268 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 5.5 t80 -146.06 128.6 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.397 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' D' ' 4' ' ' THR . 32.8 t -156.38 168.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.157 -177.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.3 m -108.65 150.37 27.63 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.487 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.6 p80 -161.75 143.63 11.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.273 0.559 . . . . 0.0 112.29 -178.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.16 149.63 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.931 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.9 p -53.03 152.74 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.383 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.2 mmtp 62.2 40.35 11.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.345 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 92.6 m-70 -158.29 69.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.745 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.49 ' HB3' ' HB3' ' B' ' 12' ' ' ASP . 2.1 t80 -153.07 129.4 10.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.425 ' CG2' ' HB3' ' B' ' 85' ' ' LEU . 10.5 tt -158.99 145.58 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.357 0.599 . . . . 0.0 111.966 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' B' ' 9' ' ' LYS . 3.8 t80 -156.79 133.89 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.09 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 8.5 p90 -165.39 140.0 4.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 112.183 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.455 ' CE1' ' CB ' ' B' ' 82' ' ' ALA . 46.9 m-85 -77.27 144.16 38.37 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.893 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.456 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 50.4 tp -170.19 140.69 1.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.87 39.82 79.16 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' B' ' 80' ' ' GLN . 0.4 OUTLIER 58.04 35.33 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.654 0.264 . . . . 0.0 111.118 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 27.8 m -159.89 128.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.139 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.455 ' CB ' ' CE1' ' B' ' 77' ' ' TYR . . . -70.55 133.14 46.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.298 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.432 HD13 HG21 ' B' ' 83' ' ' ILE . 56.8 mt -110.4 138.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 58.4 tp -129.86 140.56 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.425 ' HB3' ' CG2' ' B' ' 74' ' ' ILE . 61.2 tp -156.33 145.12 20.2 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 17.6 p90 178.05 129.16 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.596 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -99.9 170.44 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.159 0.504 . . . . 0.0 112.009 -178.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.413 ' OG ' ' HA ' ' B' ' 68' ' ' HIS . 25.4 m -145.83 137.79 25.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.896 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.64 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mmm . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -156.79 122.8 4.87 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.678 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.5 p30 -170.21 127.82 0.85 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.502 0.667 . . . . 0.0 112.406 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.572 ' N ' ' O ' ' A' ' 66' ' ' VAL . 28.7 m -71.82 142.37 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.306 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.443 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -151.29 123.61 1.54 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.849 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.8 pp -160.41 142.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.145 0.497 . . . . 0.0 112.092 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' C' ' 7' ' ' GLN . 2.9 pt20 -103.69 90.01 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.083 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.437 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 40.6 t -69.51 134.91 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 111.366 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.796 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.785 -0.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.418 ' HG3' ' NH2' ' A' ' 60' ' ' ARG . 28.5 mmm180 -64.59 133.58 52.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -159.55 35.16 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.175 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' C' ' 12' ' ' LEU . 4.7 mp -86.65 49.2 1.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.972 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -153.66 -43.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' C' ' 15' ' ' LYS . . . 64.52 35.36 91.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.328 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' C' ' 14' ' ' GLY . 36.6 mtmm -161.78 135.47 6.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 52.2 m -58.73 113.23 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.703 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . 0.409 ' CD2' ' HE2' ' C' ' 18' ' ' LYS . 75.5 t60 177.24 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . 0.409 ' HE2' ' CD2' ' C' ' 17' ' ' HIS . 52.3 mtmt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.74 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 83.1 mtp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 120.703 0.287 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' B' ' 68' ' ' HIS . 65.0 mttp -157.48 138.34 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.109 0.48 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.687 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 42.1 p30 -84.67 126.72 33.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.058 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.535 ' N ' ' O ' ' B' ' 66' ' ' VAL . 14.8 t -71.35 148.09 47.37 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.328 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . 0.436 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -152.07 123.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.293 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 2.6 pp -161.49 142.3 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 0.0 111.68 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 36' ' ' LYS . 26.2 pt20 -116.23 131.3 56.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.746 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' B' ' 62' ' ' PHE . 81.9 t -131.15 137.55 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 34.8 t70 -165.15 116.42 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . 0.447 ' HA ' ' CD2' ' D' ' 17' ' ' HIS . 16.5 ptm180 -175.69 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.493 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' D' ' 13' ' ' ASP . 1.6 m-20 67.1 49.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.422 ' CD2' ' HD2' ' B' ' 60' ' ' ARG . 70.2 mt 70.71 -29.81 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' D' ' 11' ' ' ASP . 24.7 t70 62.86 145.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.03 -45.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.945 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -159.28 55.52 0.4 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.768 0.284 . . . . 0.0 111.446 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -172.64 -53.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.637 0.256 . . . . 0.0 111.628 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . 0.447 ' CD2' ' HA ' ' D' ' 10' ' ' ARG . 29.8 m80 -74.89 -45.22 44.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.188 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.821 -179.879 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.9 m -60.45 -44.2 96.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -59.1 132.76 55.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 4' ' ' ARG . 10.3 mpt_? 61.91 132.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 11.9 mptt -70.38 -117.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . . . 67.13 122.76 0.02 OUTLIER 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.696 0.284 . . . . 0.0 111.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 19.6 m -100.1 138.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.44 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mp -92.58 129.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.323 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 74.8 mmtt -106.04 -33.39 7.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.297 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -150.68 136.24 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.861 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.08 138.28 16.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 111.574 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -145.86 57.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.098 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 21.6 ptm -163.12 160.8 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.873 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -43.5 141.31 1.44 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.785 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 12.2 pt-20 -54.77 -45.09 74.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.578 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.29 -43.24 96.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.418 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 85.3 mtp -61.28 -51.48 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 15.2 pt20 -60.49 -38.17 83.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -65.13 -44.34 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 110.182 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.49 -34.3 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.199 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.546 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -65.25 -44.0 89.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 109.856 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.432 HG23 ' CE2' ' A' ' 76' ' ' PHE . 60.7 t -66.28 -43.53 91.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.451 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -65.45 -46.32 80.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 21' ' ' SER . 27.6 p -68.74 -31.01 69.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.25 82.38 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -62.61 -46.56 87.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.368 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -57.16 -44.68 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.496 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -56.59 -45.18 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' ASN . 54.7 mt -57.84 -43.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -67.52 -30.56 70.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.397 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HD2' ' CE1' ' A' ' 41' ' ' HIS . 99.5 mttt -79.7 -36.37 37.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.556 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 59.3 m-85 -132.91 -42.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 68.52 49.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 0.0 110.569 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 38' ' ' ILE . 43.7 mt -143.33 142.77 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.678 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.484 ' HG2' ' HA2' ' A' ' 59' ' ' GLY . 4.9 mp0 -49.55 -55.05 14.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.729 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -58.96 -53.13 61.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.398 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.426 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.3 m-20 -50.51 -44.22 56.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.678 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 34' ' ' ILE . 75.4 mt -52.53 -41.84 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.03 -34.67 78.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.202 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.24 72.76 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.879 0.371 . . . . 0.0 111.395 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.424 ' CE1' ' HD2' ' A' ' 31' ' ' LYS . 76.5 m-70 -66.31 -55.92 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.431 HG21 ' CD2' ' A' ' 46' ' ' PHE . 60.3 mt -55.71 -51.13 62.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.066 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.473 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -59.65 -52.09 67.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.842 -178.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 68.0 mttm -63.78 -51.34 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -52.13 -46.56 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.414 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.662 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 38.8 m-85 -75.41 -46.89 30.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.649 0.261 . . . . 0.0 111.343 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 5.5 t70 -52.54 -36.92 56.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 110.777 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -85.82 -42.0 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -75.25 -61.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.512 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.6 m-85 -84.1 -17.63 39.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.203 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.65 148.19 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.431 0.457 . . . . 0.0 109.821 -179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.3 167.88 5.58 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 121.917 1.745 . . . . 0.0 112.138 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.4 t -116.29 126.99 54.32 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.915 0.486 . . . . 0.0 110.605 0.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.662 ' CE2' ' HB3' ' A' ' 46' ' ' PHE . 23.5 m95 -105.4 134.45 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 20.7 m-70 -110.26 139.61 45.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.188 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.5 t -137.74 151.92 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 112.199 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.41 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 59.1 mt -149.53 145.49 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.032 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.3 t -156.17 138.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.936 -179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.484 ' HA2' ' HG2' ' A' ' 35' ' ' GLU . . . 179.29 -137.39 3.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.459 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 55.5 ttp180 -174.42 39.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.787 0.327 . . . . 0.0 110.783 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 24.1 t-20 157.92 83.34 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.957 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.504 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 21.4 p90 -173.16 136.08 0.62 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.2 0.524 . . . . 0.0 112.354 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.406 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -86.88 135.28 13.11 Favored Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.349 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.413 ' HB2' HD12 ' C' ' 6' ' ' ILE . 28.6 m -129.3 144.16 51.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.346 0.573 . . . . 0.0 112.239 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.505 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 11.9 t80 -145.2 126.55 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.021 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' C' ' 4' ' ' THR . 39.9 t -157.95 168.53 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.51 -177.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.2 m -118.95 151.49 38.08 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.414 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 26.5 p80 -167.13 143.48 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 11.9 pt-20 -65.06 150.79 47.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.792 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.6 p -53.9 149.95 8.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.587 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.711 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 68.8 36.57 2.62 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.415 -179.553 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.436 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 60.6 m80 -158.37 65.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 37.1 t80 -164.17 140.37 6.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.408 HD13 ' CB ' ' A' ' 18' ' ' GLN . 10.1 tt -161.43 138.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.151 0.501 . . . . 0.0 111.617 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.403 ' OH ' ' CE1' ' A' ' 77' ' ' TYR . 46.0 t80 -142.01 137.97 31.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.93 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 8.8 p90 -166.16 139.78 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.061 0.458 . . . . 0.0 112.027 -179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' A' ' 9' ' ' LYS . 61.8 m-85 -80.32 146.13 31.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.556 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . 47.8 tp -170.16 143.89 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 111.35 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.97 41.45 92.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.336 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 70.3 mt-30 55.26 34.37 22.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 80' ' ' GLN . 30.6 m -159.3 137.8 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.89 144.97 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.289 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.412 HD11 HG23 ' A' ' 83' ' ' ILE . 59.1 mt -132.68 137.99 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.0 tp -132.72 145.74 51.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.349 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.429 HD23 ' CE2' ' A' ' 46' ' ' PHE . 60.6 tp -153.36 141.95 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.645 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.456 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 6.1 p90 179.46 130.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.561 ' HD3' ' CE2' ' A' ' 54' ' ' TRP . 56.3 pttt -103.98 170.23 8.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.355 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.2 t 58.4 35.74 24.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.616 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.15 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.334 179.833 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.815 0.341 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.2 p -59.46 136.95 58.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -158.05 44.8 0.32 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER 58.26 44.89 18.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -59.68 -38.36 81.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.646 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' B' ' 78' ' ' LEU . . . -47.52 130.14 13.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.927 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.5 m -94.79 136.69 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.018 0.437 . . . . 0.0 111.416 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' B' ' 8' ' ' ILE . 1.5 mp -86.29 136.66 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.264 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -117.09 -51.29 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -96.17 -79.87 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.2 131.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 112.157 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.422 ' OD2' ' HB3' ' B' ' 73' ' ' PHE . 12.4 p-10 -178.37 68.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.995 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 19.8 ptm -169.73 178.67 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.379 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.1 p -51.16 136.33 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.426 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 50.4 mt-10 -53.58 -40.92 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.928 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -60.44 -46.4 90.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.519 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 67.4 mtt -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.754 0.312 . . . . 0.0 111.236 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 18.7 pt20 -65.23 -37.53 87.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.886 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -70.88 -39.95 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.19 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -71.53 -35.41 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.546 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.4 p -67.76 -41.6 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.293 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.42 -47.84 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -68.73 -42.6 77.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.059 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.12 -33.18 75.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.945 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.516 ' HA ' ' CD1' ' B' ' 42' ' ' ILE . . . -69.99 -39.06 76.14 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.162 0.505 . . . . 0.0 109.942 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.6 m -61.06 -46.35 91.04 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.507 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.74 -39.67 89.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.001 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.429 ' HB2' HG12 ' B' ' 38' ' ' ILE . . . -56.26 -45.65 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.22 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.425 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 52.3 mt -63.39 -47.11 83.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.71 -30.57 70.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.494 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -87.59 -36.07 17.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.51 -43.69 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 65.16 39.42 5.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 110.41 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.555 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.7 mt -152.41 128.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -49.48 -48.15 48.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.296 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -59.31 -56.21 24.96 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -52.86 -41.99 64.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.555 HG13 ' O ' ' B' ' 34' ' ' ILE . 85.6 mt -51.42 -52.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.033 0.444 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.88 -30.33 70.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.591 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -66.36 -62.76 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -43.1 88.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.879 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' B' ' 25' ' ' ALA . 79.9 mt -60.99 -44.52 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.505 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 59.5 tttm -63.34 -53.55 50.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.702 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -58.66 -32.8 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.268 . . . . 0.0 111.459 -179.232 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.525 ' N ' ' HD2' ' B' ' 44' ' ' LYS . 5.5 tp10 -66.99 -49.08 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.59 -39.1 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 17.6 m-20 -58.96 -41.44 87.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.048 0.451 . . . . 0.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -72.32 -42.22 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.665 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.45 -63.3 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.3 m-85 -82.03 -12.72 58.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.1 m120 91.01 140.61 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 122.752 0.421 . . . . 0.0 110.479 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.442 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 41.8 Cg_endo -66.93 171.68 10.81 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.543 2.162 . . . . 0.0 112.963 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.459 HG23 ' CE1' ' B' ' 55' ' ' HIS . 11.1 t -116.7 117.27 29.34 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 122.777 0.431 . . . . 0.0 111.213 0.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.662 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.6 m95 -88.02 119.85 28.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.914 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.459 ' CE1' HG23 ' B' ' 53' ' ' THR . 29.0 m-70 -91.85 139.25 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 47.9 t -140.39 148.64 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.391 0.615 . . . . 0.0 112.557 -178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.454 ' CG2' ' CE2' ' B' ' 62' ' ' PHE . 52.8 mt -149.67 144.53 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.684 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 60.6 t -152.54 139.71 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 111.371 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.86 -128.72 1.46 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.3 ptt180 -176.96 39.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.269 . . . . 0.0 111.426 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 163.53 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.714 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.504 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 2.4 p90 -162.85 132.45 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -98.74 142.46 16.09 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 177.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -159.7 152.83 21.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.124 0.962 . . . . 0.0 113.279 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.473 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 3.7 t80 -133.88 135.0 43.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.759 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.489 ' HB ' ' CG2' ' D' ' 4' ' ' THR . 33.0 t -156.69 165.47 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 59.2 m -112.17 155.43 23.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.435 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.4 p80 -165.56 147.72 7.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.262 0.553 . . . . 0.0 112.49 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.433 ' HA ' ' N ' ' D' ' 1' ' ' MET . 5.4 tp10 -59.28 139.89 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.771 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -56.21 150.6 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.458 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . 0.576 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 61.41 38.11 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -158.34 69.01 0.49 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.555 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.485 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 48.1 t80 -162.51 140.25 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.117 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.404 HD11 ' CB ' ' B' ' 18' ' ' GLN . 10.9 tt -157.2 137.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.337 0.589 . . . . 0.0 111.975 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -135.52 137.8 42.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.374 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 8.6 p90 -167.47 141.37 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.436 -0.505 . . . . 0.0 112.155 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 56.5 m-85 -77.31 149.9 35.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.245 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.489 ' HB2' ' CB ' ' B' ' 6' ' ' ALA . 41.0 tp -167.37 138.68 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 111.331 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 53.93 39.95 63.96 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.37 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . 0.401 ' O ' ' CG1' ' B' ' 81' ' ' VAL . 99.0 mm-40 58.41 37.89 25.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.852 0.358 . . . . 0.0 111.057 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' B' ' 80' ' ' GLN . 31.3 m -158.72 136.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.722 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.83 137.45 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.408 ' CD1' ' HB3' ' B' ' 78' ' ' LEU . 51.3 mt -127.12 140.24 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 57.9 tp -137.47 141.82 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.991 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 52.7 tp -156.12 142.22 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.708 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.485 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.6 p90 -177.28 127.17 0.15 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.045 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.662 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -87.34 159.53 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.332 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.4 m -144.53 138.43 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.526 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.682 0.277 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -153.16 136.03 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 111.263 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ASP . . . . . 0.662 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 40.5 p30 -70.3 127.8 34.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.875 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 66' ' ' VAL . 11.6 t -75.55 135.95 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.085 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . 0.442 ' O ' ' CG2' ' C' ' 6' ' ' ILE . . . -135.43 117.75 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.259 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.442 ' CG2' ' O ' ' C' ' 5' ' ' GLY . 2.5 pp -161.9 170.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' GLN . . . . . 0.406 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 3.0 pm0 -163.17 120.94 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 110.925 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 40.6 t -81.74 146.63 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . 0.799 ' CB ' ' C ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.022 -0.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' C' ' 10' ' ' ARG . 0.0 OUTLIER -171.85 139.68 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.115 0.483 . . . . 0.0 111.525 . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 60' ' ' ARG . 1.5 m-20 -91.51 44.69 1.19 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.173 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' C' ' 12' ' ' LEU . 4.1 mp 56.2 13.25 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.59 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 49.67 40.37 19.66 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.53 -60.44 0.65 Allowed Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.704 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 24.4 pttm 178.75 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.696 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 53.2 m -63.26 139.89 58.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.978 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 m170 64.39 -137.26 0.28 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.996 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.433 ' N ' ' HA ' ' B' ' 69' ' ' GLU . 49.7 ttm . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -155.68 133.46 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.153 0.501 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 42.8 m-20 -90.83 118.9 30.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.576 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' THR . . . . . 0.489 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 13.6 t -80.5 141.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.05 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.9 135.39 7.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.42 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -156.01 170.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 111.544 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' GLN . . . . . 0.5 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.9 pt20 -159.95 69.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.67 142.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' D' ' 9' ' ' ASP . 9.8 t70 -172.97 43.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.696 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -92.25 -45.67 8.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.254 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' D' ' 13' ' ' ASP . 56.6 m-20 60.13 41.83 16.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.98 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' D' ' 12' ' ' LEU . 4.2 mp 66.44 -12.11 0.21 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.571 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' D' ' 11' ' ' ASP . 15.1 m-20 60.45 -154.99 0.36 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.61 -147.99 0.61 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' D' ' 16' ' ' SER . 0.0 OUTLIER -63.13 -43.45 98.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' SER . . . . . 0.401 ' N ' ' HG2' ' D' ' 15' ' ' LYS . 52.7 m -66.59 136.23 55.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.037 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -78.59 51.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.274 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 56.0 tttp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.207 179.822 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.567 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.623 0.249 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -96.07 136.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 121.126 0.489 . . . . 0.0 111.93 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -95.66 146.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.675 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -137.33 -44.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.517 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.3 m120 -110.15 49.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.754 0.312 . . . . 0.0 111.305 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.634 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -57.87 124.99 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -161.55 52.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 ttm -170.01 157.52 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.3 m -43.1 140.82 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.48 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -52.88 -48.87 66.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.682 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.38 -43.08 88.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.23 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 66.5 mtt -60.8 -51.27 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.039 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.875 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.7 pt20 -62.37 -39.08 92.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.07 -41.0 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.54 -36.88 81.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.682 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.8 t -67.79 -44.22 77.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.006 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 18' ' ' GLN . 54.2 t -62.53 -47.49 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.86 -43.67 78.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.984 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.64 -32.32 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.386 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.744 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -68.73 -38.57 80.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.72 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -59.68 -47.73 84.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.93 -39.72 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.872 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.818 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -55.64 -45.42 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.128 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 38' ' ' ILE . 50.6 mt -61.67 -48.95 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.54 -32.74 74.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.466 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.69 -33.76 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.2 m-85 -123.98 -46.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.647 ' O ' HD13 ' A' ' 34' ' ' ILE . 49.8 t30 65.06 43.6 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.383 . . . . 0.0 110.626 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 33' ' ' ASN . 40.6 mm -148.07 131.0 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 24.2 pt-20 -52.66 -49.11 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.117 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 17.0 ttpp -66.26 -54.67 22.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.99 -48.23 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.44 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 29' ' ' LEU . 72.1 mt -53.67 -48.98 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.025 0.44 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -64.49 -32.1 73.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.32 14.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -62.83 -49.05 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -178.657 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.744 HD11 ' HA ' ' A' ' 25' ' ' ALA . 60.0 mt -60.88 -42.87 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.638 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -56.84 -52.32 65.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.905 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.87 -45.34 90.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' OE1' ' CE1' ' A' ' 41' ' ' HIS . 57.4 mt-10 -56.47 -48.07 77.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -65.45 -39.49 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' OD1' ' HD2' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -62.69 -38.57 90.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.995 0.426 . . . . 0.0 110.843 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 4.2 tmtt? -70.7 -40.0 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -82.78 -55.94 4.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -87.59 -18.28 30.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 42.8 t30 96.63 138.26 0.03 OUTLIER Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 123.381 0.425 . . . . 0.0 110.277 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 41.1 Cg_exo -56.72 166.59 3.62 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.797 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -120.42 123.46 43.08 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.829 0.452 . . . . 0.0 110.995 0.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 20.8 m95 -94.59 133.51 38.15 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.179 0.514 . . . . 0.0 111.955 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.49 ' ND1' HG13 ' B' ' 66' ' ' VAL . 21.2 m-70 -106.82 133.92 50.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.797 ' C ' HD12 ' A' ' 57' ' ' ILE . 48.3 t -135.25 139.57 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.444 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.83 HD13 HD23 ' A' ' 84' ' ' LEU . 2.6 mp -139.92 143.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.38 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -151.51 139.21 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.474 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.97 -131.28 2.0 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.167 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.4 ptt180 -178.35 37.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 111.367 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 44.3 t30 170.62 79.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.205 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.622 ' CE2' HG21 ' A' ' 57' ' ' ILE . 3.4 p90 -168.28 133.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -96.71 143.43 16.73 Favored Glycine 0 N--CA 1.452 -0.243 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.587 ' HB3' HD13 ' B' ' 57' ' ' ILE . 21.6 m -160.61 154.44 22.62 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.403 ' HB3' ' HD2' ' B' ' 43' ' ' LYS . 6.9 m-85 -136.52 137.18 40.03 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 114.127 -1.397 . . . . 0.0 109.375 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.538 ' HB ' HG22 ' C' ' 4' ' ' THR . 7.1 t -155.78 159.12 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.589 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 86.1 m -108.85 155.15 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 22.5 p80 -167.63 146.54 4.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.314 0.578 . . . . 0.0 112.311 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.09 154.93 21.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.492 HG23 ' N ' ' C' ' 1' ' ' MET . 76.4 p -56.77 145.74 28.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.792 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 6.9 mmpt? 64.84 14.31 9.12 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.691 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 46.0 m170 -122.43 58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.39 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' HE1' HD11 ' A' ' 84' ' ' LEU . 23.3 t80 -158.45 139.69 13.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 0.0 111.558 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.617 HD12 ' CB ' ' A' ' 18' ' ' GLN . 9.5 tt -159.85 139.53 3.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.372 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.719 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 3.8 t80 -144.19 138.56 28.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.654 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.828 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.4 p90 -167.99 138.94 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.964 0.411 . . . . 0.0 111.487 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.448 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 7.7 m-85 -80.12 145.37 32.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.74 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD13 ' HB2' ' A' ' 6' ' ' ALA . 60.1 tp -170.24 145.29 2.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.281 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.13 40.71 84.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.394 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 81' ' ' VAL . 13.9 mp0 54.24 36.29 24.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 80' ' ' GLN . 29.6 m -158.44 134.4 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.719 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.89 130.59 42.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -112.77 138.28 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.83 HD23 HD13 ' A' ' 57' ' ' ILE . 61.9 tp -134.22 139.12 45.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 74' ' ' ILE . 57.9 tp -154.97 136.75 14.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.496 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.2 p90 -175.15 127.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.392 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.3 pttt -95.56 170.37 9.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.152 0.501 . . . . 0.0 111.814 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.795 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.779 ' N ' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.753 0.311 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.2 m -95.31 136.28 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 111.681 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.878 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -81.65 148.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.254 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -137.73 -41.23 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.352 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.451 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 33.4 m120 -126.34 52.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.878 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -58.17 137.01 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.321 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -178.71 62.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.5 ttm -175.81 158.97 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.727 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.1 m -44.69 140.76 2.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 50.4 mt-10 -51.53 -47.8 63.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.723 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.529 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.6 pt-20 -57.82 -44.51 86.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.561 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 61.2 mtt -63.98 -46.11 86.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.153 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.838 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.6 pt20 -66.76 -39.28 87.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 14.7 pt20 -72.9 -35.98 67.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.22 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.501 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.3 t0 -69.33 -37.04 77.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.556 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 59.7 m -67.72 -42.88 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.231 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.838 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.4 t -63.55 -47.2 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.655 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -68.34 -43.4 77.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.74 -34.96 78.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.894 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.881 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -71.02 -40.03 72.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.314 0.578 . . . . 0.0 109.538 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -58.86 -45.93 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.275 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.621 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 99.1 mm-40 -59.18 -48.02 83.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.608 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.522 ' HA ' ' CE ' ' B' ' 31' ' ' LYS . . . -46.95 -43.85 19.48 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.999 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.91 ' CD2' HD11 ' B' ' 38' ' ' ILE . 50.8 mt -65.16 -42.21 93.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.8 -37.32 85.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.775 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' B' ' 27' ' ' GLN . 44.3 pttt -86.56 -34.77 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.671 ' CD1' ' CE1' ' B' ' 41' ' ' HIS . 55.5 m-85 -118.26 -45.6 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.999 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 49.6 t30 65.57 43.53 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.904 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.516 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -147.97 121.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.62 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.4 OUTLIER -44.34 -44.85 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.06 -179.364 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.515 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.4 ttpm? -59.16 -56.13 26.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 111.226 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.68 ' HB3' ' CE1' ' B' ' 41' ' ' HIS . 55.3 m-20 -61.61 -39.48 91.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.721 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.91 HD11 ' CD2' ' B' ' 29' ' ' LEU . 95.9 mt -47.45 -49.14 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 111.225 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.591 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.43 89.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 0.0 111.623 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.68 ' CE1' ' HB3' ' B' ' 37' ' ' ASP . 4.4 m80 -64.19 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.34 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.881 HD11 ' HA ' ' B' ' 25' ' ' ALA . 63.7 mt -59.01 -36.61 63.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.623 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.403 ' HD2' ' HB3' ' A' ' 65' ' ' TYR . 60.8 tttm -60.84 -59.46 5.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.81 -41.3 87.74 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 51.6 mm-40 -54.64 -48.46 72.24 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -72.69 -45.01 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -32.76 67.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 110.623 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.531 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -75.77 -46.11 32.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.1 -59.04 2.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.0 m-85 -84.51 -13.39 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 4.8 m120 88.83 141.21 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.388 0 C-N-CA 122.546 0.339 . . . . 0.0 110.134 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.452 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -60.01 172.67 2.2 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.428 2.086 . . . . 0.0 112.736 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.851 HG22 ' O ' ' B' ' 88' ' ' SER . 9.9 t -117.18 112.33 20.69 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 122.881 0.472 . . . . 0.0 111.301 0.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.726 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.4 m95 -88.58 122.88 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.033 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' B' ' 85' ' ' LEU . 32.4 m-70 -96.6 140.05 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.509 ' O ' HD13 ' B' ' 57' ' ' ILE . 42.2 t -136.69 144.23 43.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.472 0.653 . . . . 0.0 112.501 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.587 HD13 ' HB3' ' A' ' 64' ' ' SER . 31.3 mm -137.59 141.8 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.587 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.496 HG12 ' HB2' ' B' ' 35' ' ' GLU . 47.2 t -154.59 135.44 4.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.857 0.36 . . . . 0.0 111.457 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.57 -142.74 6.29 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.838 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 63.1 mtm-85 -160.48 28.7 0.16 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.543 0.211 . . . . 0.0 111.46 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 35.0 t30 167.33 82.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.523 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 28.3 p90 -165.51 136.88 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.59 137.4 14.07 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.8 m -137.42 148.88 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.719 0.759 . . . . 0.0 112.729 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 2.4 t80 -148.23 131.78 16.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.253 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.601 HG12 ' N ' ' B' ' 67' ' ' THR . 45.2 t -158.68 165.82 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.12 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.601 ' N ' HG12 ' B' ' 66' ' ' VAL . 93.1 m -116.39 150.35 37.9 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 25.5 p80 -166.06 142.37 5.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 112.038 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.36 154.56 35.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.791 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 42.5 p -57.77 152.68 15.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.794 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 43.9 mmtm 65.87 38.3 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.214 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 83.2 m-70 -164.82 69.55 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.05 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.533 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 1.9 t80 -165.45 125.35 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.396 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.683 ' O ' HD12 ' B' ' 84' ' ' LEU . 13.4 tt -150.81 141.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.2 0.524 . . . . 0.0 111.543 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.658 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 48.9 t80 -147.17 139.14 24.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.65 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' B' ' 22' ' ' VAL . 8.4 p90 -167.06 139.07 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.065 0.459 . . . . 0.0 111.756 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 8.1 m-85 -82.58 148.25 28.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.433 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.779 HD13 ' N ' ' B' ' 6' ' ' ALA . 57.2 tp -169.92 143.92 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.324 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.83 41.41 83.53 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.566 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 80' ' ' GLN . 50.9 tt0 56.24 35.71 26.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.581 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.49 ' O ' HD12 ' B' ' 83' ' ' ILE . 29.0 m -158.01 132.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.658 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -76.58 137.56 39.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.49 HD12 ' O ' ' B' ' 81' ' ' VAL . 4.4 mp -125.09 140.64 47.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.648 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.683 HD12 ' O ' ' B' ' 74' ' ' ILE . 63.8 tp -132.32 144.36 50.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.672 HD22 HG21 ' B' ' 42' ' ' ILE . 56.7 tp -159.27 138.53 11.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.533 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.6 p90 -177.4 129.74 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.203 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.726 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.7 ptpt -78.98 162.65 25.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.4 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.851 ' O ' HG22 ' B' ' 53' ' ' THR . 51.0 m -143.51 134.38 25.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.94 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.527 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.492 ' N ' HG23 ' A' ' 70' ' ' THR . 66.6 mtm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -155.03 135.7 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.532 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -78.74 121.52 24.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.04 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 66' ' ' VAL . 14.5 t -72.41 142.79 48.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.105 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.65 135.11 7.51 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 pt -154.43 170.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 111.577 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.519 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 21.9 pt20 -163.52 69.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.168 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' A' ' 60' ' ' ARG . 58.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.462 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.513 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.0 p-10 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.587 HG22 ' HB ' ' B' ' 66' ' ' VAL . 15.2 t -76.72 140.09 40.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.92 135.73 7.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.546 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.4 pt -156.1 170.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -159.14 74.97 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.577 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.0 t -69.28 144.7 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.9 p30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.807 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.875 0.369 . . . . 0.0 111.825 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.538 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -88.7 137.92 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.116 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.897 HG12 ' HB2' ' A' ' 11' ' ' ALA . 9.2 tp -84.17 141.65 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.594 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.757 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -117.17 -32.08 5.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.555 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -155.03 59.73 0.66 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.452 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.897 ' HB2' HG12 ' A' ' 8' ' ' ILE . . . -56.62 142.15 40.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.356 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -175.47 52.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.652 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.491 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 97.4 mtp -156.02 145.19 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.688 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -46.06 147.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.21 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.72 -39.5 2.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.46 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.51 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.5 pt-20 -69.48 -44.42 71.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.022 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.491 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 66.0 mtt -62.05 -47.82 83.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.423 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.808 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.6 pt20 -63.86 -38.53 91.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.532 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.51 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 19.0 pt20 -71.21 -40.78 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.676 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -37.45 83.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.828 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.491 ' OG ' HD23 ' A' ' 85' ' ' LEU . 47.6 t -67.92 -45.44 74.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.898 0.38 . . . . 0.0 110.264 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.9 t -65.51 -44.98 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.561 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.38 -34.05 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.885 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.08 -38.65 75.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 109.922 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.6 m -60.92 -45.13 95.88 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.18 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 85.9 mt-30 -59.37 -45.2 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.175 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -54.42 -42.77 70.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.206 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.863 ' CD2' HD11 ' A' ' 38' ' ' ILE . 48.6 mt -61.67 -48.1 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.609 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 10.5 pt-20 -67.42 -28.29 67.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.101 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.701 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.01 -21.16 27.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.701 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 25.9 m-85 -145.51 -45.64 0.21 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.543 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 32' ' ' TYR . 49.6 t30 68.99 45.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 38' ' ' ILE . 54.8 mt -137.16 126.01 35.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.625 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -45.06 -47.56 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.082 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -68.06 -52.84 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 111.253 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.644 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . 1.3 m-20 -56.19 -41.91 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.39 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.863 HD11 ' CD2' ' A' ' 29' ' ' LEU . 93.4 mt -50.67 -44.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.98 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -64.03 -36.41 83.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.532 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -66.8 -46.17 76.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.675 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.672 ' CE1' ' CD1' ' A' ' 32' ' ' TYR . 5.8 m80 -63.9 -54.01 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.156 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.885 HD11 ' HA ' ' A' ' 25' ' ' ALA . 60.6 mt -60.41 -46.51 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.108 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 12.5 tmtt? -56.42 -53.34 58.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.535 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.01 -46.27 91.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 41' ' ' HIS . 51.4 mt-10 -55.95 -46.0 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.683 0.277 . . . . 0.0 111.429 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.53 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 23.1 m-85 -73.42 -44.55 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -57.83 -35.75 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.241 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -82.95 -39.65 21.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 111.187 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -79.54 -64.33 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.5 m-85 -83.27 -18.65 38.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.7 m-20 93.62 143.73 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.398 0 C-N-CA 122.74 0.416 . . . . 0.0 110.125 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.438 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.5 Cg_endo -58.41 169.87 2.78 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.595 2.197 . . . . 0.0 112.867 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 53' ' ' THR . 14.1 t -115.18 117.41 30.45 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 122.526 0.33 . . . . 0.0 111.21 0.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.628 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 23.3 m95 -95.28 131.1 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.385 0.612 . . . . 0.0 111.95 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.459 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 31.6 m-70 -110.83 138.99 46.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.091 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 52.4 t -139.01 153.39 48.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.559 0.695 . . . . 0.0 112.639 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.418 HD12 HD23 ' A' ' 84' ' ' LEU . 58.9 mt -149.89 146.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.559 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -154.65 136.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.45 . . . . 0.0 111.112 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.36 -135.24 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -174.19 35.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.561 0.22 . . . . 0.0 111.356 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 40.2 t30 165.46 81.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.818 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.466 ' CD2' ' CB ' ' B' ' 62' ' ' PHE . 18.4 p90 -166.18 139.05 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.21 146.48 18.21 Favored Glycine 0 C--N 1.33 0.215 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.403 ' OG ' HG12 ' B' ' 57' ' ' ILE . 39.5 t -159.68 154.26 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.721 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 17.0 m-85 -135.57 139.79 44.16 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 114.303 -1.317 . . . . 0.0 109.752 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.883 HG11 ' CZ ' ' A' ' 86' ' ' PHE . 21.7 t -157.73 159.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.019 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.507 HG23 ' O ' ' C' ' 1' ' ' MET . 92.7 m -119.47 144.51 46.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -160.95 145.55 13.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.389 . . . . 0.0 111.727 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.4 pt-20 -61.99 154.44 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.488 HG22 ' CE ' ' C' ' 2' ' ' LYS . 74.3 p -56.25 147.75 20.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.884 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 60.09 37.31 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.998 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 53.6 m80 -150.25 54.77 0.92 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.681 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 8.7 t80 -165.36 140.36 5.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.312 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.445 HG22 ' SD ' ' A' ' 13' ' ' MET . 12.0 tt -155.93 133.72 2.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.614 ' OH ' HG21 ' C' ' 8' ' ' VAL . 46.2 t80 -137.81 133.94 34.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.563 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.641 ' CZ ' HG22 ' A' ' 22' ' ' VAL . 7.4 p90 -165.62 143.99 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.814 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 62.6 m-85 -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.826 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 6' ' ' ALA . 27.3 tp -156.33 134.78 11.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.438 . . . . 0.0 111.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.457 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 67.15 -66.64 0.22 Allowed Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 39.1 tt0 178.9 37.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG12 ' NH2' ' A' ' 60' ' ' ARG . 32.5 m -160.41 137.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.995 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.814 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -72.26 136.43 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.06 135.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD21 ' HE2' ' A' ' 86' ' ' PHE . 55.5 tp -131.42 142.25 49.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 42' ' ' ILE . 56.6 tp -160.1 143.46 13.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.883 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 21.2 p90 -179.57 131.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.628 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -95.89 149.29 21.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.668 179.426 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.619 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.602 0.239 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' B' ' 77' ' ' TYR . 33.3 m -87.79 134.96 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.995 0.426 . . . . 0.0 111.519 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.694 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.7 mp -91.03 144.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -139.55 -42.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.516 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 4.5 m120 -115.62 51.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.557 ' HB1' ' OE1' ' B' ' 18' ' ' GLN . . . -64.73 132.53 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.654 0.264 . . . . 0.0 110.564 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 2.2 m-20 -153.0 53.08 0.76 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.415 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' B' ' 18' ' ' GLN . 20.5 ptp -176.54 -174.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.9 m -65.08 143.14 58.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.453 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -51.95 -40.68 61.22 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.532 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.7 pt-20 -59.51 -43.25 93.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.768 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 76.7 mtp -65.29 -42.88 92.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.752 ' O ' HG23 ' B' ' 22' ' ' VAL . 54.5 mt-30 -66.93 -44.21 81.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.532 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 14.4 pt20 -69.3 -33.83 73.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.2 t0 -66.5 -40.37 89.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.507 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -68.42 -41.99 79.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.908 0.385 . . . . 0.0 110.127 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' ' 18' ' ' GLN . 49.9 t -65.92 -45.45 91.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.73 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.517 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -67.87 -43.6 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.029 0.442 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.34 -39.88 88.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.35 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.786 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -67.79 -36.53 80.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.277 0.561 . . . . 0.0 109.548 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.0 m -59.87 -44.26 94.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.298 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -59.68 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.178 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.74 -40.73 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' B' ' 38' ' ' ILE . 64.1 mt -64.07 -49.6 71.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.28 -32.17 69.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.0 mttt -80.77 -25.13 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.613 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 44.8 m-85 -145.04 -43.98 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.438 -0.505 . . . . 0.0 112.258 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.658 ' O ' HD13 ' B' ' 34' ' ' ILE . 0.3 OUTLIER 70.48 54.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.658 HD13 ' O ' ' B' ' 33' ' ' ASN . 41.6 mm -145.79 124.96 5.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' B' ' 36' ' ' LYS . 11.9 pt-20 -49.63 -47.46 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.593 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 36.7 ttpt -59.71 -58.63 7.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -53.0 -42.8 65.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.855 HD11 ' CD2' ' B' ' 29' ' ' LEU . 96.7 mt -51.71 -46.36 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.389 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.616 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -62.35 -41.21 98.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.812 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.721 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -62.94 -45.85 90.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.573 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 64.2 m-70 -66.68 -51.32 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.713 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.786 HD11 ' HA ' ' B' ' 25' ' ' ALA . 50.1 mt -64.79 -43.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 111.258 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.47 -57.89 10.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.762 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' B' ' 44' ' ' LYS . 10.5 mtmp? -58.08 -44.27 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 39.3 tt0 -57.29 -45.28 84.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -72.66 -39.31 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.32 . . . . 0.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -61.15 -40.41 93.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -72.17 -39.6 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.103 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 94.4 mttt -84.29 -70.19 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 7.7 m-30 -73.96 -21.14 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.9 t30 96.56 141.82 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.568 0 C-N-CA 122.672 0.389 . . . . 0.0 110.347 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.42 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 50.5 Cg_exo -56.52 171.28 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.411 2.074 . . . . 0.0 112.75 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.88 HG22 ' O ' ' B' ' 88' ' ' SER . 9.1 t -118.55 106.08 12.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.38 0.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.791 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.2 m95 -84.56 122.26 28.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.345 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.584 ' O ' HD12 ' B' ' 85' ' ' LEU . 30.5 m-70 -99.06 136.31 39.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.942 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.592 ' HB2' HD13 ' B' ' 85' ' ' LEU . 44.0 t -132.26 150.11 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 0.0 112.065 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' B' ' 62' ' ' PHE . 36.6 mt -147.92 142.0 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.224 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -149.02 132.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.97 -134.86 2.42 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 28.0 ttm180 -173.95 39.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.605 0.241 . . . . 0.0 111.028 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 166.37 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.5 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' B' ' 57' ' ' ILE . 32.4 p90 -173.24 132.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -83.63 135.35 13.7 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.1 m -128.32 141.41 51.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.49 0.645 . . . . 0.0 112.621 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.703 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 4.2 t80 -144.1 125.75 15.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.719 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.611 HG12 ' N ' ' B' ' 67' ' ' THR . 22.6 t -157.21 170.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.192 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.6 m -116.0 147.38 41.27 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.9 p80 -161.86 141.0 9.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.408 . . . . 0.0 111.629 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.408 ' OE2' ' CE1' ' B' ' 72' ' ' HIS . 12.6 pt-20 -66.44 154.75 39.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.243 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -57.23 150.57 17.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.9 mmpt? 65.9 34.73 7.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.408 ' CE1' ' OE2' ' B' ' 69' ' ' GLU . 62.5 m80 -158.71 69.29 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' B' ' 84' ' ' LEU . 32.5 t80 -169.6 137.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.839 ' O ' HD12 ' B' ' 84' ' ' LEU . 10.8 tt -156.42 142.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.212 0.53 . . . . 0.0 111.876 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.516 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 41.0 t80 -142.16 139.59 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.391 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.8 p90 -170.03 140.71 2.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 112.166 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.595 ' HB2' HG22 ' B' ' 7' ' ' VAL . 60.5 m-85 -80.59 149.64 29.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.317 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' B' ' 6' ' ' ALA . 53.1 tp -169.96 139.96 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.16 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.86 39.95 70.22 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 56.7 37.36 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.557 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.3 m -156.81 135.79 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.011 0.434 . . . . 0.0 110.853 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.447 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -72.74 135.91 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.581 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 55.2 mt -125.09 140.01 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.399 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.839 HD12 ' O ' ' B' ' 74' ' ' ILE . 57.3 tp -140.91 145.34 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' B' ' 54' ' ' TRP . 50.9 tp -158.49 143.17 16.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.062 0.458 . . . . 0.0 111.429 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.614 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 12.8 p90 -179.21 134.57 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.791 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -83.06 170.0 15.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.045 0.45 . . . . 0.0 111.604 -179.244 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.88 ' O ' HG22 ' B' ' 53' ' ' THR . 46.6 t -146.35 135.04 22.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.985 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.522 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.507 ' O ' HG23 ' A' ' 67' ' ' THR . 81.5 mtp . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.488 ' CE ' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -72.75 129.36 38.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.506 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.561 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -75.69 109.75 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.239 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.669 HG21 ' HE2' ' A' ' 73' ' ' PHE . 12.1 t -73.27 136.29 44.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.18 134.29 7.65 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.248 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 pt -151.1 170.05 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.955 0.407 . . . . 0.0 111.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.509 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.9 pt20 -160.03 69.79 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.809 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.614 HG21 ' OH ' ' A' ' 75' ' ' TYR . 47.3 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.824 0.345 . . . . 0.0 110.982 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.636 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.2 p-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.888 0.375 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.516 HG21 ' CE2' ' B' ' 86' ' ' PHE . 12.8 t -75.41 144.42 42.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.526 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -146.21 123.86 1.92 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.366 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.832 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.7 pp -160.37 145.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.31 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' D' ' 7' ' ' GLN . 22.4 pt20 -123.57 100.51 6.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.102 0.477 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 52.1 t -78.41 137.57 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.011 0.434 . . . . 0.0 110.861 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 8.5 m -85.63 137.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 112.007 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.655 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -80.53 136.96 22.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.454 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -115.72 -32.49 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -155.47 52.8 0.6 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.86 0.362 . . . . 0.0 111.463 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.655 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.71 146.52 20.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -167.61 71.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.407 . . . . 0.0 111.147 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.436 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 60.2 mtt -157.16 -166.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.3 p -88.31 38.52 0.86 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.2 mt-10 65.51 -58.83 0.29 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.99 -38.83 80.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.278 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 60.4 mtt -60.13 -51.46 69.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 22' ' ' VAL . 11.1 pt20 -60.56 -39.76 89.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -64.33 -42.09 96.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.979 0.418 . . . . 0.0 110.244 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.407 ' OD1' ' CZ ' ' A' ' 46' ' ' PHE . 7.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.575 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.2 m -67.71 -43.99 78.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.086 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 18' ' ' GLN . 59.0 t -64.74 -46.68 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.372 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.0 -42.29 85.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.72 -37.95 87.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.865 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -67.11 -37.64 84.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.336 0.588 . . . . 0.0 109.429 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.2 m -60.38 -43.66 96.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.067 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HG2' ' CD ' ' A' ' 31' ' ' LYS . 51.9 tt0 -58.89 -45.97 88.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.117 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.576 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -54.17 -44.09 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.963 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.847 ' CD2' HD11 ' A' ' 38' ' ' ILE . 59.0 mt -60.51 -48.41 81.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.32 -33.51 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.312 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 57.3 mtpt -77.38 -31.76 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.42 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CD1' ' CE1' ' A' ' 41' ' ' HIS . 4.2 m-85 -138.79 -49.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.951 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.854 ' C ' HD12 ' A' ' 34' ' ' ILE . 50.2 t30 78.57 45.37 0.06 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.415 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.854 HD12 ' C ' ' A' ' 33' ' ' ASN . 2.4 mp -135.59 130.07 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.122 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.18 -46.76 62.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.926 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -65.89 -53.91 33.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.846 0.355 . . . . 0.0 111.499 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.62 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . 59.6 m-20 -54.58 -42.04 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.503 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.847 HD11 ' CD2' ' A' ' 29' ' ' LEU . 89.8 mt -52.46 -42.69 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.056 0.455 . . . . 0.0 110.481 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 56' ' ' CYS . . . -60.4 -38.93 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.253 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.12 -47.03 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.661 ' CE1' ' CD1' ' A' ' 32' ' ' TYR . 15.6 m80 -60.9 -51.58 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 111.506 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 ' HA ' ' A' ' 25' ' ' ALA . 63.9 mt -60.88 -43.51 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' B' ' 65' ' ' TYR . 62.3 tttm -57.85 -51.63 68.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.6 -47.63 84.83 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -56.31 -47.85 77.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 111.533 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CZ ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-85 -71.42 -40.31 70.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.633 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 53.0 m-20 -57.89 -36.01 71.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.023 0.439 . . . . 0.0 110.579 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.77 -39.6 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.488 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -81.32 -61.22 2.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' HB3' ' A' ' 51' ' ' ASN . 5.3 m-85 -85.96 -21.25 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.543 ' HB3' ' O ' ' A' ' 50' ' ' TYR . 26.7 t-20 95.18 137.83 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.75 0.42 . . . . 0.0 110.217 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 47' ' ' ASP . 11.9 Cg_endo -54.95 169.71 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.632 2.221 . . . . 0.0 112.513 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.9 t -116.12 116.62 28.18 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 122.962 0.505 . . . . 0.0 111.219 0.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.739 ' CG ' ' HB3' ' A' ' 87' ' ' LYS . 22.0 m95 -93.13 129.96 38.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.685 ' O ' HD12 ' A' ' 85' ' ' LEU . 38.9 m-70 -98.16 135.93 39.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.235 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.686 ' SG ' HD13 ' A' ' 85' ' ' LEU . 78.7 m -123.98 147.82 47.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.297 0.57 . . . . 0.0 112.304 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.801 HG23 ' OG ' ' B' ' 64' ' ' SER . 57.9 mt -151.27 143.54 16.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.298 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -156.8 135.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.43 -137.07 2.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.692 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.676 ' HA ' HG11 ' C' ' 8' ' ' VAL . 7.3 ptm180 -179.01 41.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.191 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' C' ' 8' ' ' VAL . 2.0 m120 162.12 82.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.064 0.545 . . . . 0.0 109.817 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 14.7 p90 -173.07 137.14 0.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.577 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -100.57 139.64 14.5 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.841 ' OG ' HG23 ' B' ' 57' ' ' ILE . 41.7 m -157.31 149.59 22.82 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.927 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 19.4 m-85 -124.61 140.56 52.82 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.14 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.817 HG11 ' CZ ' ' A' ' 86' ' ' PHE . 27.9 t -156.87 162.46 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 CA-C-O 120.527 0.203 . . . . 0.0 111.381 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.543 ' N ' HG12 ' A' ' 66' ' ' VAL . 85.4 m -115.83 155.89 27.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.431 ' ND1' ' HB2' ' A' ' 73' ' ' PHE . 23.7 p80 -166.95 140.35 3.7 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.819 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 25.0 pt-20 -64.28 150.26 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.626 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -56.78 150.96 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.425 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 34.6 mmtp 64.26 37.19 8.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.788 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 33.8 m80 -164.43 54.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.709 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 34.7 t80 -152.61 141.33 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.953 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.802 ' O ' HD12 ' A' ' 84' ' ' LEU . 6.5 tt -165.01 145.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.312 0.577 . . . . 0.0 111.962 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.7 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.6 t80 -148.97 135.07 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.815 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.73 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -166.93 135.89 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.452 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 57.1 m-85 -74.54 143.7 44.38 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.552 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.881 HD23 ' N ' ' A' ' 79' ' ' GLY . 6.0 tt -169.25 142.42 2.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 110.989 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.881 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 56.52 41.07 88.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.431 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 81' ' ' VAL . 13.7 mp0 55.61 35.43 25.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 78' ' ' LEU . 29.5 m -158.33 135.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB3' HG21 ' C' ' 8' ' ' VAL . . . -69.78 135.57 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.268 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' A' ' 78' ' ' LEU . 58.4 mt -121.02 137.89 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 74' ' ' ILE . 50.9 tp -139.95 140.7 36.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.686 HD13 ' SG ' ' A' ' 56' ' ' CYS . 58.2 tp -154.22 145.48 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.817 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 11.7 p90 178.75 132.62 0.08 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.739 ' HB3' ' CG ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -102.28 170.35 8.13 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.557 ' HB3' ' HG2' ' A' ' 69' ' ' GLU . 35.7 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.779 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' B' ' 77' ' ' TYR . 29.3 m -99.94 138.88 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.736 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.641 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.2 155.27 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.838 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.426 ' N ' HG22 ' B' ' 8' ' ' ILE . 31.8 mmmt -142.28 -39.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -147.12 49.79 1.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.015 0.436 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.577 ' HB1' ' OE1' ' B' ' 18' ' ' GLN . . . -58.65 145.8 38.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.405 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 63.7 t0 -161.05 56.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 110.459 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.57 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 61.7 mtt -160.51 157.24 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.74 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.2 m -56.13 148.81 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.334 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.79 -41.37 4.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.818 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.88 -39.41 93.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.57 ' HB2' ' HB3' ' B' ' 13' ' ' MET . 67.4 mtt -67.44 -47.73 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.819 ' O ' HG23 ' B' ' 22' ' ' VAL . 42.4 mt-30 -64.93 -42.73 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.174 0.511 . . . . 0.0 110.137 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.59 -41.34 84.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.432 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 38.2 t70 -68.93 -36.53 78.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.414 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -68.03 -44.32 76.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.998 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.819 HG23 ' O ' ' B' ' 18' ' ' GLN . 60.5 t -64.65 -45.96 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.6 -43.3 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.44 -37.41 87.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.89 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -68.62 -40.1 80.5 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -60.47 -42.97 97.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.212 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 40.0 tt0 -59.46 -44.95 92.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.354 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' B' ' 41' ' ' HIS . . . -56.51 -42.37 78.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.805 HD23 HD11 ' B' ' 38' ' ' ILE . 54.1 mt -61.27 -48.83 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.497 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.36 -32.09 72.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.598 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.491 ' HB3' ' NZ ' ' B' ' 31' ' ' LYS . 9.5 mtpm? -81.64 -26.11 35.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.844 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.535 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 54.3 m-85 -145.32 -45.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.283 -0.567 . . . . 0.0 112.384 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.5 t30 69.16 51.54 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.961 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.536 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.5 mt -136.96 129.64 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.712 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -51.79 -52.03 51.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.172 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.36 -56.01 19.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 0.0 111.755 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.459 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.4 m-20 -53.6 -45.83 70.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.15 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.805 HD11 HD23 ' B' ' 29' ' ' LEU . 93.7 mt -49.58 -44.46 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.79 0.328 . . . . 0.0 111.419 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.29 81.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.484 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.927 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -64.37 -47.15 80.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.835 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 19.6 m-70 -62.81 -50.29 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.356 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' B' ' 25' ' ' ALA . 56.8 mt -68.22 -40.03 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.755 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.454 ' CD ' ' HB3' ' A' ' 65' ' ' TYR . 60.2 tttm -60.32 -58.48 8.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -68.72 -39.24 80.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.827 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.02 -53.64 47.17 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.485 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.5 m-85 -71.37 -44.03 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.9 t0 -54.56 -37.34 65.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.441 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -76.66 -49.65 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.788 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.405 ' HD3' ' NZ ' ' B' ' 48' ' ' LYS . 75.7 mmtt -74.39 -70.24 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.264 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.551 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.7 m-30 -68.14 -17.33 64.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.023 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 33.7 m-20 94.24 146.4 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.441 0 C-N-CA 122.837 0.455 . . . . 0.0 110.417 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.42 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 29.0 Cg_endo -62.9 167.75 11.59 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.445 2.097 . . . . 0.0 112.52 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.553 HG22 ' O ' ' B' ' 88' ' ' SER . 9.8 t -112.86 133.21 54.95 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.776 0.43 . . . . 0.0 110.474 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 33.8 m95 -109.09 135.9 49.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.447 0.642 . . . . 0.0 112.627 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.501 ' HB2' ' CZ ' ' B' ' 86' ' ' PHE . 13.7 m-70 -115.43 137.37 52.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.604 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.8 t -136.81 154.34 50.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.46 0.648 . . . . 0.0 112.58 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.841 HG23 ' OG ' ' A' ' 64' ' ' SER . 54.3 mt -148.98 142.51 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.809 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -151.26 132.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 111.162 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.42 -131.48 2.14 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.284 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 38.6 ptt85 -177.02 37.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.7 t30 177.39 76.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.559 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 10.1 p90 -162.89 138.5 6.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.524 0.678 . . . . 0.0 112.398 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -115.36 137.0 13.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.801 ' OG ' HG23 ' A' ' 57' ' ' ILE . 61.2 m -154.27 148.8 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.48 ' CE1' ' HD3' ' A' ' 43' ' ' LYS . 2.7 t80 -120.17 132.64 55.46 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.242 -1.345 . . . . 0.0 107.782 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' B' ' 86' ' ' PHE . 20.1 t -154.35 167.19 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.596 ' N ' HG12 ' B' ' 66' ' ' VAL . 91.1 m -124.04 143.79 50.23 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -159.39 146.43 16.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 112.122 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 16.7 tp10 -58.29 151.97 18.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.193 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 44.7 p -53.12 146.25 11.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.179 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' B' ' 71' ' ' LYS . 11.8 mptt 61.03 17.58 8.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.111 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.464 ' CE1' ' HE3' ' B' ' 87' ' ' LYS . 33.7 m170 -122.13 68.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 9.3 t80 179.41 146.43 0.2 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.935 0.397 . . . . 0.0 111.429 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.486 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 10.9 tt -162.48 133.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' D' ' 8' ' ' VAL . 37.2 t80 -130.02 132.22 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.575 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.616 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.1 p90 -166.57 134.67 2.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.448 ' HB2' HG22 ' B' ' 7' ' ' VAL . 60.9 m-85 -73.1 147.25 45.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.872 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' B' ' 6' ' ' ALA . 52.0 tp -170.44 140.4 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.32 41.74 80.63 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.577 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 54.78 36.54 26.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.485 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.8 m -157.37 133.51 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.788 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 125.62 27.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.508 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' B' ' 78' ' ' LEU . 54.2 mt -105.71 143.8 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.503 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 65.6 tp -143.63 143.27 31.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.912 0.387 . . . . 0.0 111.19 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' B' ' 42' ' ' ILE . 56.1 tp -157.11 141.47 16.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.296 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.601 ' CE2' HG11 ' B' ' 66' ' ' VAL . 8.7 p90 -173.63 129.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 56.1 pttt -100.87 170.46 8.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.099 0.476 . . . . 0.0 111.416 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.553 ' O ' HG22 ' B' ' 53' ' ' THR . 57.6 m -145.33 140.51 27.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.961 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.524 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.692 0.282 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -159.64 150.51 19.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.58 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 47.5 p-10 -74.15 124.03 25.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.562 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' VAL . 11.9 t -76.46 132.8 39.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.445 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.618 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -124.87 124.0 5.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.612 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.799 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.1 pp -161.94 155.36 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.577 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.3 pt20 -146.54 117.71 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.359 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 60' ' ' ARG . 40.2 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.895 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.448 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 38.3 p30 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.935 0.397 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.583 HG21 ' HE2' ' B' ' 73' ' ' PHE . 15.4 t -89.24 149.58 23.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.632 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -153.22 129.05 2.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.935 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.855 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.3 pp -160.49 143.84 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.164 0.507 . . . . 0.0 112.313 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.481 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.2 pt20 -119.96 84.87 2.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.553 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' B' ' 75' ' ' TYR . 47.2 t -69.41 143.55 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 34.9 t70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.702 0.287 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.9 m -82.23 136.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.143 0.497 . . . . 0.0 111.938 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.737 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -90.19 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.683 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -136.39 -43.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.57 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 4.1 m120 -123.44 46.29 2.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.77 0.319 . . . . 0.0 111.568 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.737 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -61.08 141.44 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.745 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -169.64 54.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.757 0.313 . . . . 0.0 111.606 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.432 ' HE3' ' N ' ' A' ' 73' ' ' PHE . 13.5 ptp -171.42 -175.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 111.223 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.7 m -55.27 151.21 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.403 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -65.0 -43.98 90.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.314 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.57 -42.4 98.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.94 -51.15 71.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 111.182 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.6 pt20 -60.64 -39.86 89.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.28 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -67.25 -41.22 85.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.862 0.363 . . . . 0.0 110.804 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -64.78 -39.88 94.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.63 -44.55 81.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.87 0.367 . . . . 0.0 110.253 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' GLN . 60.5 t -64.6 -44.43 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.8 -46.43 78.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.529 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -65.91 -31.25 72.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.819 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.48 -39.88 73.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.176 0.513 . . . . 0.0 109.781 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.544 ' OG1' HD21 ' A' ' 78' ' ' LEU . 89.4 m -59.75 -49.58 77.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.378 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 35.7 mt-30 -57.93 -47.06 84.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.833 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -45.69 -43.42 12.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.745 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.798 HD23 HD11 ' A' ' 38' ' ' ILE . 53.4 mt -62.4 -46.9 86.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.119 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.025 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 60.5 mmtt -80.37 -36.71 33.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.579 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 45.4 m-85 -134.56 -40.71 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.616 ' O ' HD13 ' A' ' 34' ' ' ILE . 49.5 t30 67.69 46.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.993 0.425 . . . . 0.0 110.345 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 33' ' ' ASN . 47.3 mm -148.09 124.28 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.725 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -48.28 -44.98 34.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.907 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -62.43 -58.24 8.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.647 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.65 -47.02 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.73 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.833 HG23 ' CB ' ' A' ' 28' ' ' ALA . 66.7 mt -54.57 -52.07 44.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.14 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.916 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.97 -55.98 10.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.528 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.06 -48.7 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 -178.707 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.819 HD11 ' HA ' ' A' ' 25' ' ' ALA . 52.3 mt -58.04 -42.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.654 0.264 . . . . 0.0 111.105 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -60.22 -46.29 90.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.686 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 60.8 mttp -68.22 -48.59 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.9 mt-10 -56.19 -46.74 79.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.685 0.278 . . . . 0.0 111.634 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CE1' HG23 ' A' ' 42' ' ' ILE . 11.0 m-85 -66.75 -42.85 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.686 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.0 p30 -66.74 -29.96 70.06 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -75.55 -43.47 48.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.2 mtpt -78.59 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.7 m-85 -85.29 -15.22 44.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.385 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 94.07 139.84 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.551 0 O-C-N 123.46 0.475 . . . . 0.0 110.185 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 38.7 Cg_exo -60.36 166.97 8.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.464 2.109 . . . . 0.0 112.737 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.8 t -115.48 133.51 55.96 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.912 0.485 . . . . 0.0 110.881 0.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 32.0 m95 -102.75 132.33 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.5 m-70 -103.34 129.01 50.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.0 t -131.59 144.56 51.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.316 0.579 . . . . 0.0 112.151 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 62' ' ' PHE . 48.2 mt -150.53 138.84 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.005 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -149.8 136.56 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.181 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.73 -133.34 2.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.544 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 55.0 ttp180 -175.14 44.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 161.27 84.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 57' ' ' ILE . 2.8 p90 -170.03 137.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.59 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -111.66 134.36 12.05 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 177.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.707 ' HB3' HG23 ' B' ' 57' ' ' ILE . 62.9 p -155.6 153.54 30.28 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.706 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 22.5 m-85 -124.25 142.09 51.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.63 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' HG22 ' C' ' 4' ' ' THR . 20.3 t -157.63 162.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.2 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.519 ' N ' HG12 ' A' ' 66' ' ' VAL . 92.0 m -115.54 153.75 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 23.8 p80 -167.6 150.09 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.62 139.27 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.999 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.8 p -56.47 148.36 19.49 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.462 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 66.48 36.38 5.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -157.92 56.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.036 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.546 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 28.2 t80 -152.95 138.7 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.092 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.682 HD12 ' HB3' ' A' ' 18' ' ' GLN . 9.8 tt -161.73 142.13 3.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.219 0.533 . . . . 0.0 112.008 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.738 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.7 t80 -141.95 137.35 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.982 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 22' ' ' VAL . 8.6 p90 -166.54 141.46 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.473 . . . . 0.0 112.077 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 6.6 m-85 -86.93 152.95 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.826 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 6' ' ' ALA . 63.9 tp -160.86 138.38 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 0.0 111.861 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 67.32 -67.02 0.24 Allowed Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.976 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 18.3 tt0 179.82 36.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.8 m -159.79 135.9 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.652 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.39 130.24 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.482 HD12 ' HE1' ' A' ' 76' ' ' PHE . 56.3 mt -113.18 141.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.738 HD13 ' HD2' ' A' ' 75' ' ' TYR . 59.5 tp -138.1 141.32 40.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.479 ' O ' HG22 ' A' ' 74' ' ' ILE . 57.2 tp -158.46 135.29 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.546 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.5 p90 -173.59 127.73 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -96.38 170.41 9.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.185 0.517 . . . . 0.0 111.799 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.724 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.978 ' HB2' HD22 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.725 0.298 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 28.1 m -90.11 136.36 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.58 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.34 126.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -102.6 -34.59 9.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.5 ' OD1' ' HB3' ' B' ' 75' ' ' TYR . 19.4 p30 -165.95 55.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.045 0.45 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.4 ' HB2' HG23 ' B' ' 8' ' ' ILE . . . -61.43 147.79 43.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.63 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -158.27 70.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.181 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' B' ' 14' ' ' SER . 53.6 ttm -174.55 161.92 3.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.53 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' B' ' 13' ' ' MET . 57.9 m -45.31 140.14 3.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -49.56 -49.73 45.12 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.074 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.89 -41.35 99.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.41 ' HB2' ' HG2' ' B' ' 13' ' ' MET . 86.8 mtp -64.97 -47.98 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.832 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.9 pt20 -67.0 -39.43 87.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.342 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.83 -38.96 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.681 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -68.81 -36.78 78.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.9 t -67.48 -41.98 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.038 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.832 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.1 t -64.49 -48.86 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.498 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.0 -42.4 89.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.836 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.65 -33.91 73.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.547 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.762 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.78 -39.67 76.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.218 0.533 . . . . 0.0 109.907 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -59.49 -46.11 89.75 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.082 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.401 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 54.1 tt0 -60.89 -37.89 83.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.679 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -54.78 -47.79 73.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.853 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.869 ' CD2' HD11 ' B' ' 38' ' ' ILE . 62.8 mt -61.36 -46.54 89.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.63 -32.5 73.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.401 ' CD ' ' HG2' ' B' ' 27' ' ' GLN . 57.8 mtpt -83.97 -41.57 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.901 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.458 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 4.8 m-85 -119.23 -46.53 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.582 ' O ' HD13 ' B' ' 34' ' ' ILE . 0.3 OUTLIER 68.0 46.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.582 HD13 ' O ' ' B' ' 33' ' ' ASN . 45.1 mm -150.41 127.02 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.69 -46.17 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.973 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.74 -57.56 8.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.961 0.41 . . . . 0.0 111.316 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 57.9 m-20 -53.15 -45.18 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.957 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.869 HD11 ' CD2' ' B' ' 29' ' ' LEU . 98.3 mt -48.64 -53.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -65.26 -24.49 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.99 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.706 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -68.57 -62.89 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.5 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.76 -46.29 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.482 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' B' ' 25' ' ' ALA . 75.4 mt -59.53 -45.68 93.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.529 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 6.5 ttpm? -56.81 -49.6 74.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.059 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.22 -41.38 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.395 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -55.94 -52.72 63.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.112 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -71.01 -42.53 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.949 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' B' ' 52' ' ' PRO . 61.3 t0 -57.02 -40.87 77.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -79.07 -44.75 21.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.224 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.53 -63.21 1.29 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 2.7 m-85 -79.61 -14.64 58.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.256 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.24 145.42 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 122.785 0.434 . . . . 0.0 110.249 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.418 ' HB3' ' OD1' ' B' ' 47' ' ' ASP . 19.5 Cg_endo -62.44 169.84 7.59 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.192 1.928 . . . . 0.0 112.539 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.718 HG22 ' O ' ' B' ' 88' ' ' SER . 11.5 t -117.89 113.02 21.12 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.94 0.496 . . . . 0.0 110.983 0.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.69 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.2 m95 -89.85 125.59 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.354 0.597 . . . . 0.0 112.244 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.415 ' ND1' HG13 ' A' ' 66' ' ' VAL . 45.8 m-70 -101.23 132.12 46.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.828 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.427 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 42.7 t -128.02 150.04 50.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 112.068 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.707 HG23 ' HB3' ' A' ' 64' ' ' SER . 37.9 mt -147.25 142.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.056 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 51.3 t -156.03 136.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.47 -136.62 2.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 15.6 ptp180 -170.34 32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.598 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 41.0 t30 162.86 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 22.5 p90 -169.86 139.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.67 136.93 13.43 Favored Glycine 0 C--N 1.329 0.156 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t -140.68 146.52 37.94 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' D' ' 4' ' ' THR . 12.0 m-85 -138.69 135.5 34.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.665 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.635 HG11 ' CE1' ' B' ' 86' ' ' PHE . 38.9 t -157.53 169.3 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.616 ' N ' HG12 ' B' ' 66' ' ' VAL . 91.8 m -121.11 144.88 48.33 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -160.96 143.52 12.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.006 0.432 . . . . 0.0 111.886 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.25 152.67 43.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 38.8 p -58.7 151.97 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.184 0.516 . . . . 0.0 111.795 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.479 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 44.2 mmtm 63.6 38.53 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.147 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.8 m-70 -164.74 69.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.962 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.709 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.4 t80 -173.58 140.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.743 ' O ' HD12 ' B' ' 84' ' ' LEU . 8.9 tt -160.4 143.91 4.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.921 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.633 ' OH ' HG22 ' D' ' 8' ' ' VAL . 44.5 t80 -141.66 140.39 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.394 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.635 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.2 p90 -165.75 141.02 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.06 0.457 . . . . 0.0 111.651 -178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -87.07 143.77 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.978 HD22 ' HB2' ' B' ' 6' ' ' ALA . 53.0 tp -169.82 145.23 2.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.493 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.53 40.99 88.34 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.414 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 53.86 35.72 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.718 0.294 . . . . 0.0 110.654 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.8 m -157.99 132.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.511 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.86 143.42 52.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.412 HD12 ' HE1' ' B' ' 76' ' ' PHE . 58.1 mt -131.03 134.53 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.606 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.743 HD12 ' O ' ' B' ' 74' ' ' ILE . 54.1 tp -136.78 146.83 46.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' B' ' 54' ' ' TRP . 57.8 tp -161.35 142.96 11.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.709 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 11.5 p90 -179.02 132.88 0.12 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.359 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.69 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -86.11 153.14 22.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 111.815 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.718 ' O ' HG22 ' B' ' 53' ' ' THR . 45.7 t -126.02 123.17 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.783 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.448 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.819 0.342 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 34.4 mmtp -70.89 132.91 45.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.517 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 t70 -85.99 109.48 18.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.158 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.581 HG22 ' HB ' ' A' ' 66' ' ' VAL . 15.0 t -77.6 144.58 37.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.648 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -148.6 125.99 2.18 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.613 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.83 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.3 pp -162.24 151.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 112.143 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.59 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 17.6 pt20 -138.38 118.55 13.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.683 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 62' ' ' PHE . 43.4 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.61 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.598 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.674 0.274 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.464 ' N ' ' O ' ' B' ' 66' ' ' VAL . 9.1 t -74.53 148.33 41.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.246 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.55 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -148.94 127.03 2.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.919 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.932 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -158.77 138.28 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 111.705 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.441 ' HG2' ' OD1' ' D' ' 9' ' ' ASP . 15.4 tt0 -112.47 89.67 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.333 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.633 HG22 ' OH ' ' B' ' 75' ' ' TYR . 47.1 t -69.57 138.44 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.448 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.441 ' OD1' ' HG2' ' D' ' 7' ' ' GLN . 2.3 m-20 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.42 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.952 ' HB2' HD12 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.568 0.223 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 35.4 m -75.38 135.91 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.127 0.489 . . . . 0.0 112.11 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.7 mp -79.32 151.63 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.391 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HE2' HG23 ' A' ' 7' ' ' VAL . 75.3 mmtt -136.53 -41.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.342 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -138.68 48.19 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.749 0.309 . . . . 0.0 111.438 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . . . -65.45 138.76 58.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -158.76 59.07 0.43 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.415 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 17' ' ' MET . 22.8 ptm -167.32 -172.63 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.276 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 16' ' ' GLU . 33.2 t -60.93 135.35 57.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -54.84 -45.71 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.772 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 14' ' ' SER . 12.5 pt-20 -58.51 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.132 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.402 ' HB3' ' HE1' ' A' ' 13' ' ' MET . 66.6 mtt -60.11 -45.18 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 63.7 mt-30 -58.06 -42.54 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.822 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -59.55 -45.37 92.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.66 -39.87 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.665 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.7 m -65.16 -42.87 93.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.991 0.425 . . . . 0.0 110.234 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.655 HG13 ' CB ' ' A' ' 6' ' ' ALA . 64.8 t -63.45 -46.59 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.538 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.72 -46.82 77.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.321 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -65.29 -31.61 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.229 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.903 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -71.53 -41.28 69.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.209 0.528 . . . . 0.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -62.03 -47.13 86.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.302 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 74.0 mt-30 -60.93 -36.59 79.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.859 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.654 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -57.92 -46.63 84.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.335 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.647 ' CD2' HD11 ' A' ' 38' ' ' ILE . 65.7 mt -63.69 -46.46 85.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 111.551 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 16.0 pt-20 -71.65 -30.81 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.31 -33.1 24.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.855 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -124.8 -44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.907 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 65.35 45.03 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.995 0.426 . . . . 0.0 110.565 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.593 ' O ' HG13 ' A' ' 38' ' ' ILE . 58.1 mt -149.46 122.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.319 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.917 ' OE1' HG12 ' A' ' 58' ' ' VAL . 43.0 mm-40 -43.35 -49.53 6.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.875 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 36.4 ttpt -61.62 -56.91 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.876 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.465 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -50.53 -42.03 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.352 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.647 HD11 ' CD2' ' A' ' 29' ' ' LEU . 58.2 mt -48.5 -53.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.37 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -66.0 -23.77 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.245 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -69.14 -60.38 2.39 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.654 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -67.46 -44.58 78.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.405 -178.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 25' ' ' ALA . 69.4 mt -61.03 -43.9 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.165 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 5.9 ptpp? -64.38 -44.28 91.82 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.676 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 41' ' ' HIS . 5.2 mm-40 -56.85 -49.42 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.508 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.1 m-85 -69.51 -46.41 66.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.063 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.9 -40.9 70.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -84.21 -42.11 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.607 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -73.61 -60.16 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.359 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.3 m-85 -85.66 -14.41 45.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.016 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.03 145.66 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.437 0 C-N-CA 122.821 0.449 . . . . 0.0 110.0 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -60.01 168.87 5.36 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.124 1.882 . . . . 0.0 112.425 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 88' ' ' SER . 12.9 t -117.88 115.58 25.23 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.904 0.481 . . . . 0.0 110.85 0.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.2 m95 -94.24 129.48 40.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.284 0.564 . . . . 0.0 112.407 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 31.4 m-70 -107.28 141.29 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.739 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.752 ' O ' HD13 ' A' ' 57' ' ' ILE . 53.0 t -144.06 144.52 31.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.559 0.695 . . . . 0.0 112.764 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 56' ' ' CYS . 28.9 mm -144.22 148.03 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.358 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.917 HG12 ' OE1' ' A' ' 35' ' ' GLU . 49.1 t -155.26 137.05 5.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.827 0.346 . . . . 0.0 111.376 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.28 -135.02 2.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.254 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 15.3 ptm180 -177.88 38.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.678 0.275 . . . . 0.0 111.148 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 43.1 t30 171.09 65.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 57' ' ' ILE . 8.9 p90 -163.63 133.07 4.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.039 0.447 . . . . 0.0 112.027 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -81.11 138.31 19.05 Favored Glycine 0 CA--C 1.517 0.185 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.2 t -126.29 147.37 49.72 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.651 0.726 . . . . 0.0 112.714 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.5 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 23.7 t80 -149.94 128.25 12.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.678 HG11 ' CE2' ' A' ' 86' ' ' PHE . 24.8 t -156.81 169.68 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 87.3 m -124.55 143.79 50.49 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.1 p80 -163.99 150.86 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.795 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HA ' ' H2 ' ' C' ' 1' ' ' MET . 16.5 pt-20 -60.75 144.68 51.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.192 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.567 HG23 ' H3 ' ' C' ' 1' ' ' MET . 69.1 p -56.49 148.58 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.4 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 65.06 36.78 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.684 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.436 ' CG ' ' HG3' ' A' ' 69' ' ' GLU . 62.6 m80 -154.03 54.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.827 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.919 ' CE1' HD11 ' A' ' 84' ' ' LEU . 73.0 t80 -159.25 143.53 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 85' ' ' LEU . 7.1 tt -153.62 138.6 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.596 ' OH ' HG22 ' C' ' 8' ' ' VAL . 4.8 t80 -144.93 134.39 23.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.823 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.55 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.9 p90 -164.27 140.03 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.368 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.577 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 16.5 m-30 -73.18 143.37 47.24 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.856 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.952 HD12 ' HB2' ' A' ' 6' ' ' ALA . 5.7 tt -168.6 138.71 2.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.785 0.326 . . . . 0.0 110.818 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.876 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 55.49 39.84 75.44 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.565 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.424 ' O ' HG13 ' A' ' 81' ' ' VAL . 53.0 mm-40 56.35 36.48 27.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.809 0.337 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 78' ' ' LEU . 26.8 m -159.05 134.25 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.786 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.538 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -72.65 130.53 40.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.666 HD13 ' HB1' ' A' ' 25' ' ' ALA . 57.0 mt -112.5 139.69 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.919 HD11 ' CE1' ' A' ' 73' ' ' PHE . 57.8 tp -132.59 138.27 47.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD23 ' OG ' ' A' ' 21' ' ' SER . 57.1 tp -158.29 139.81 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.435 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.678 ' CE2' HG11 ' A' ' 66' ' ' VAL . 3.7 p90 -173.98 132.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.285 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -92.6 140.8 29.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.736 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 53' ' ' THR . 48.5 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.74 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.0 m -87.07 135.77 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 120.981 0.419 . . . . 0.0 111.531 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.849 HG12 ' HB2' ' B' ' 11' ' ' ALA . 6.2 tp -95.12 142.45 13.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.944 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -131.81 -41.32 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 32.9 m120 -115.62 49.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.849 ' HB2' HG12 ' B' ' 8' ' ' ILE . . . -56.9 137.76 54.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.474 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 63.7 t0 -174.37 52.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.47 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 55.2 mtt -158.62 143.57 16.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -46.15 145.17 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 56.2 mt-10 -43.34 -39.65 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.74 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -67.69 -43.44 80.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.678 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.47 ' HB2' ' HB3' ' B' ' 13' ' ' MET . 67.0 mtt -64.51 -47.31 79.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.716 0.293 . . . . 0.0 111.229 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.768 ' O ' HG23 ' B' ' 22' ' ' VAL . 13.7 pt20 -65.27 -37.23 86.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.724 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.0 pt20 -71.66 -37.96 70.72 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.419 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -66.47 -40.2 89.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.012 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.473 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.768 HG23 ' O ' ' B' ' 18' ' ' GLN . 60.4 t -66.32 -44.53 90.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 19' ' ' GLN . 5.2 mm-40 -68.01 -43.52 78.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.72 -33.46 73.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.934 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -72.57 -39.15 67.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.147 0.498 . . . . 0.0 109.986 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -65.19 -45.93 82.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.446 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 87.8 mt-30 -62.49 -39.31 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.278 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.607 ' HB3' HG23 ' B' ' 38' ' ' ILE . . . -59.12 -44.04 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.358 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.19 -45.06 90.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.562 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 12.1 pt-20 -70.43 -32.61 70.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -83.6 -34.64 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.8 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.463 ' CG ' ' OD2' ' B' ' 37' ' ' ASP . 32.3 m-85 -124.06 -44.78 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' B' ' 32' ' ' TYR . 49.6 t30 68.23 51.77 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' B' ' 37' ' ' ASP . 57.3 mt -145.71 134.99 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.607 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.422 ' OE2' ' HB ' ' B' ' 81' ' ' VAL . 3.7 mm-40 -61.7 -48.66 79.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.512 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.431 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 2.0 tmmm? -69.73 -49.76 50.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.219 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.463 ' OD2' ' CG ' ' B' ' 32' ' ' TYR . 35.4 t70 -61.71 -44.39 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' B' ' 28' ' ' ALA . 0.2 OUTLIER -55.47 -51.16 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.994 0.426 . . . . 0.0 110.667 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -24.01 67.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -67.58 -55.58 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.821 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 -179.108 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.934 HD11 ' HA ' ' B' ' 25' ' ' ALA . 70.7 mt -60.18 -42.94 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.907 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.442 ' O ' ' HD2' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -62.5 -52.51 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.5 pttp -61.36 -43.37 98.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 65.9 mm-40 -59.98 -44.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.613 0.244 . . . . 0.0 111.632 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.589 ' CD2' HD21 ' B' ' 85' ' ' LEU . 15.2 m-85 -64.83 -38.93 92.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.652 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD1' ' B' ' 54' ' ' TRP . 19.4 m-20 -64.44 -38.38 90.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.762 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.629 ' HD3' ' N ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -80.54 -27.79 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.042 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.629 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 27.8 tptp -90.31 -63.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 4.2 m-85 -86.24 -15.11 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 66.4 m-20 95.36 141.59 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.521 0 C-N-CA 122.963 0.505 . . . . 0.0 110.491 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.417 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 28.9 Cg_endo -62.92 167.8 11.55 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.776 2.317 . . . . 0.0 113.283 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.3 t -114.71 127.27 55.66 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 122.436 0.294 . . . . 0.0 111.139 0.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.8 m95 -100.66 130.95 46.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 111.824 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.49 ' CE1' HG23 ' B' ' 53' ' ' THR . 15.6 m-70 -110.27 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.037 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.442 ' HB2' HD13 ' B' ' 85' ' ' LEU . 42.3 t -135.1 148.81 49.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.357 0.599 . . . . 0.0 112.216 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.558 HG21 ' CE2' ' B' ' 62' ' ' PHE . 54.4 mt -149.92 143.77 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.713 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.413 HG12 ' CD ' ' B' ' 35' ' ' GLU . 47.6 t -150.86 140.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 111.363 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.98 -131.98 1.8 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 16.0 ptp180 -172.59 32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 32.5 t30 168.33 81.71 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.723 0.297 . . . . 0.0 110.518 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.558 ' CE2' HG21 ' B' ' 57' ' ' ILE . 4.1 p90 -168.95 133.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.075 0.464 . . . . 0.0 111.77 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.65 133.58 12.59 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -128.18 143.45 51.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 1.7 t80 -152.36 121.13 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.423 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' D' ' 4' ' ' THR . 24.0 t -155.73 163.56 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.411 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.2 m -103.91 158.92 16.08 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.0 p80 -163.52 144.77 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.254 0.55 . . . . 0.0 112.083 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.76 160.41 17.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.377 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.7 p -55.92 142.35 35.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.933 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.623 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 61.28 15.84 6.8 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.477 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.52 ' ND1' ' HG3' ' B' ' 87' ' ' LYS . 57.6 m170 -124.66 69.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.402 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.638 ' CZ ' HG23 ' D' ' 4' ' ' THR . 2.3 t80 -160.9 132.41 5.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.624 HG22 ' O ' ' B' ' 85' ' ' LEU . 11.6 tt -155.55 142.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.06 0.457 . . . . 0.0 111.406 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.542 ' HD2' HD13 ' B' ' 84' ' ' LEU . 5.8 t80 -157.34 134.34 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.141 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.64 ' CE2' HG22 ' B' ' 22' ' ' VAL . 6.8 p90 -166.79 142.63 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.183 0.516 . . . . 0.0 111.819 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.712 ' HE1' ' HB2' ' B' ' 82' ' ' ALA . 68.9 m-85 -83.91 150.81 25.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.162 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' B' ' 6' ' ' ALA . 37.2 tp -155.8 131.57 9.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.781 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.77 -65.27 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.09 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' B' ' 78' ' ' LEU . 25.8 pt20 178.89 39.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.422 ' HB ' ' OE2' ' B' ' 35' ' ' GLU . 34.2 m -156.82 137.78 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.344 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.712 ' HB2' ' HE1' ' B' ' 77' ' ' TYR . . . -77.92 130.21 36.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.255 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.502 HD12 ' HE1' ' B' ' 76' ' ' PHE . 62.0 mt -113.08 141.43 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.562 HD21 ' HE2' ' B' ' 86' ' ' PHE . 60.9 tp -141.58 142.01 33.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.624 ' O ' HG22 ' B' ' 74' ' ' ILE . 60.9 tp -160.2 142.33 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.51 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.562 ' HE2' HD21 ' B' ' 84' ' ' LEU . 9.4 p90 -179.11 135.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.032 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.6 ptmt -98.27 170.41 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.671 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.4 t -146.96 132.81 19.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.603 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.415 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.567 ' H3 ' HG23 ' A' ' 70' ' ' THR . 27.8 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -154.91 133.87 12.26 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.271 0.557 . . . . 0.0 111.4 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.696 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 10.1 p-10 -79.83 128.91 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.863 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.493 HG22 ' HB ' ' A' ' 66' ' ' VAL . 10.5 t -78.31 136.4 37.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.071 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.453 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -133.04 120.2 2.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.332 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.791 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.5 pp -160.32 141.97 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.974 0.416 . . . . 0.0 111.193 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.469 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.8 pt20 -115.3 113.3 23.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.596 HG22 ' OH ' ' A' ' 75' ' ' TYR . 37.0 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.599 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 2.5 p30 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.257 0.551 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.638 HG23 ' CZ ' ' B' ' 73' ' ' PHE . 42.4 m -73.26 147.13 44.87 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.999 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.583 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -157.15 127.63 1.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.646 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.974 HD13 HG23 ' D' ' 8' ' ' VAL . 2.8 pp -161.59 138.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.994 0.425 . . . . 0.0 111.299 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' D' ' 7' ' ' GLN . 11.1 pt20 -104.12 82.71 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.974 HG23 HD13 ' D' ' 6' ' ' ILE . 62.7 t -69.7 133.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.812 0.339 . . . . 0.0 110.955 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 57.7 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.618 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.634 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -86.42 137.3 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 112.144 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.617 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -82.58 150.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.805 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -141.43 -44.11 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.415 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.492 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -126.29 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.184 -179.515 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -60.77 140.03 57.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -172.56 56.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.284 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 19.6 ptm -172.48 172.42 4.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.969 0.414 . . . . 0.0 111.293 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.8 m -48.06 142.57 5.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.678 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 56.1 mt-10 -56.95 -45.62 82.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.559 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.61 -43.2 99.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.271 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.433 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 65.9 mtt -58.88 -51.06 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.324 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.761 ' CB ' HD12 ' A' ' 74' ' ' ILE . 11.6 pt20 -58.27 -38.27 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.411 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 97.6 mm-40 -65.63 -44.32 86.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.24 -37.18 86.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.413 ' OG ' HD23 ' A' ' 85' ' ' LEU . 48.1 t -66.5 -45.62 78.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 18' ' ' GLN . 57.7 t -62.82 -48.37 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.616 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.63 -41.5 92.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.188 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.85 -35.46 80.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.847 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.866 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -67.69 -38.32 83.53 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.236 0.541 . . . . 0.0 109.616 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.4 m -60.6 -44.11 96.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -59.94 -44.64 94.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.355 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.93 -42.34 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.759 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.844 HD23 HD11 ' A' ' 38' ' ' ILE . 51.6 mt -60.39 -50.26 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.57 -31.13 71.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 60.0 mttp -79.28 -32.56 43.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.713 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 5.8 m-85 -139.61 -44.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 112.168 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.659 ' O ' HD13 ' A' ' 34' ' ' ILE . 0.3 OUTLIER 69.65 53.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 110.583 -179.383 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 33' ' ' ASN . 49.5 mm -145.29 127.34 9.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -48.35 -50.27 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.558 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 35.1 ttpt -62.32 -56.96 13.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.457 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -55.51 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.011 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.844 HD11 HD23 ' A' ' 29' ' ' LEU . 96.6 mt -50.5 -43.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 0.0 111.397 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.25 81.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.563 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB1' ' NZ ' ' A' ' 44' ' ' LYS . . . -67.68 -45.67 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 32' ' ' TYR . 17.4 m-70 -63.7 -52.04 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 111.795 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.866 HD11 ' HA ' ' A' ' 25' ' ' ALA . 55.6 mt -63.13 -49.64 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.06 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 43' ' ' LYS . 5.8 tmmm? -56.33 -57.52 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' NZ ' ' HB1' ' A' ' 40' ' ' ALA . 58.3 mttp -60.79 -42.74 98.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' OE2' ' HE2' ' A' ' 49' ' ' LYS . 34.4 tp10 -53.36 -50.15 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.83 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.473 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 14.2 m-85 -69.94 -41.4 74.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 58.0 m-20 -52.41 -32.89 41.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.901 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.49 -46.23 23.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.661 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HE2' ' OE2' ' A' ' 45' ' ' GLU . 67.4 mttm -82.38 -60.51 2.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.2 m-85 -81.32 -17.84 47.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.0 m120 90.17 143.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.315 0 C-N-CA 122.698 0.399 . . . . 0.0 110.167 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.42 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.0 Cg_endo -60.42 167.97 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.426 2.084 . . . . 0.0 113.074 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 9.0 t -113.1 132.11 55.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.679 0.392 . . . . 0.0 111.304 0.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.576 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 33.0 m95 -106.78 132.14 53.09 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.189 0.519 . . . . 0.0 111.823 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.495 ' ND1' HG13 ' B' ' 66' ' ' VAL . 15.6 m-70 -107.73 134.86 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.891 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -138.84 151.86 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.423 0.63 . . . . 0.0 112.41 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.542 HG23 ' O ' ' B' ' 63' ' ' GLY . 55.0 mt -150.21 144.7 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.664 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -146.95 129.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 111.102 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.81 -132.82 1.9 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.183 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.8 ptt180 -179.01 36.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 13.4 t-20 171.37 78.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.301 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.488 ' CD2' ' CB ' ' B' ' 62' ' ' PHE . 23.4 p90 -167.24 133.68 2.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -83.47 133.19 11.66 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 177.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.52 ' HB3' HD11 ' C' ' 6' ' ' ILE . 43.8 t -128.04 144.07 51.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.848 0.824 . . . . 0.0 113.092 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.457 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 0.9 OUTLIER -149.49 121.72 8.37 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.447 178.694 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.57 HG12 ' N ' ' A' ' 67' ' ' THR . 21.5 t -153.54 168.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.405 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.804 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 92.5 m -119.68 143.18 47.87 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.7 p80 -163.56 152.88 14.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.008 0.432 . . . . 0.0 111.59 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -58.67 138.21 57.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.991 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.408 HG22 ' CG ' ' C' ' 2' ' ' LYS . 60.9 p -58.31 147.97 29.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.221 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.649 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 7.1 mmpt? 67.53 36.4 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.129 0.49 . . . . 0.0 110.206 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -153.57 48.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.292 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.659 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 7.1 t80 -156.54 146.57 21.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.085 0.469 . . . . 0.0 111.412 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.761 HD12 ' CB ' ' A' ' 18' ' ' GLN . 9.8 tt -159.88 141.69 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.247 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.733 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.6 t80 -135.44 135.74 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.379 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 8.5 p90 -165.69 140.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.171 0.51 . . . . 0.0 112.06 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 6.1 m-85 -83.46 154.72 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.634 HD13 ' HB2' ' A' ' 6' ' ' ALA . 55.5 tp -161.25 136.9 7.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.46 . . . . 0.0 111.685 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 67.44 -66.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.953 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 51.0 tt0 179.8 36.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.099 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.2 m -159.45 134.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.607 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.09 122.65 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' HE1' ' A' ' 76' ' ' PHE . 58.4 mt -100.7 143.05 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.04 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.733 HD13 ' HD2' ' A' ' 75' ' ' TYR . 64.0 tp -134.23 139.92 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.413 HD23 ' OG ' ' A' ' 21' ' ' SER . 56.3 tp -158.52 136.75 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.487 ' CB ' ' HA ' ' A' ' 73' ' ' PHE . 4.3 p90 -174.36 127.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 20.9 ptmt -96.06 170.39 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.286 0.565 . . . . 0.0 111.826 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.462 ' O ' HG22 ' A' ' 53' ' ' THR . 58.6 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.65 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.957 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.606 0.241 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 25.8 m -91.67 137.04 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 111.609 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.619 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -83.49 128.74 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.178 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.627 ' HE3' ' HA ' ' B' ' 9' ' ' LYS . 0.0 OUTLIER -86.89 -42.06 13.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.23 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -171.22 63.69 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.83 0.347 . . . . 0.0 111.349 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.24 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 59.1 m-20 -156.59 61.74 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 111.459 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 22.0 ptm -173.24 -174.08 0.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.964 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.0 m -53.8 137.1 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.331 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.3 pt-20 -56.33 -44.9 80.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.403 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.535 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.5 pt-20 -58.06 -45.96 86.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.503 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.66 -46.42 88.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.82 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.6 pt20 -66.73 -38.27 86.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.604 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.535 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 14.8 pt20 -73.29 -36.01 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.511 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -69.9 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.698 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -67.58 -42.39 82.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 0.0 110.079 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.82 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.4 t -63.74 -48.95 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.393 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.18 -43.28 87.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.882 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.12 -36.18 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.674 ' CA ' HD11 ' B' ' 42' ' ' ILE . . . -67.74 -45.52 74.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.1 m -54.63 -42.04 70.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.187 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 18.3 tt0 -59.75 -43.38 94.29 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.043 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.49 -44.97 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.211 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.498 ' HG ' HD11 ' B' ' 38' ' ' ILE . 7.4 mp -61.06 -48.06 83.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.83 0.348 . . . . 0.0 111.37 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 22.9 pt-20 -67.92 -31.12 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.586 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' B' ' 27' ' ' GLN . 55.9 mtpt -79.43 -27.53 41.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.702 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.549 ' CE2' ' CE1' ' B' ' 41' ' ' HIS . 57.0 m-85 -146.56 -43.02 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.2 t30 70.23 51.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.087 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.2 mt -134.5 126.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.87 -47.76 60.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -65.71 -55.67 16.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 0.0 111.848 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.47 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.4 m-20 -54.11 -44.75 71.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.451 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.53 ' HA ' ' HB1' ' B' ' 28' ' ' ALA . 97.3 mt -47.04 -48.31 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.811 ' HB1' ' SG ' ' B' ' 56' ' ' CYS . . . -59.91 -37.92 80.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.457 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -63.68 -48.89 75.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.549 ' CE1' ' CE2' ' B' ' 32' ' ' TYR . 34.3 m-70 -57.9 -50.99 71.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 110.656 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.674 HD11 ' CA ' ' B' ' 25' ' ' ALA . 61.8 mt -67.35 -34.0 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.641 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' B' ' 47' ' ' ASP . 29.2 tptp -57.87 -68.67 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.568 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.48 -43.8 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -53.17 -48.37 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.497 ' CE1' HG23 ' B' ' 42' ' ' ILE . 5.7 m-85 -75.02 -42.87 56.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 58.2 m-20 -57.99 -40.09 79.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 110.959 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -74.43 -41.13 61.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.841 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.37 -70.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.3 m-85 -78.77 -13.67 59.69 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -177.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 61.8 m-20 92.91 143.0 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 122.726 0.411 . . . . 0.0 110.496 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.439 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 35.3 Cg_endo -64.67 171.28 8.59 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.533 2.155 . . . . 0.0 113.101 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.71 HG22 ' O ' ' B' ' 88' ' ' SER . 12.6 t -117.37 114.96 24.31 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.24 0.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -88.63 120.66 30.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.874 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.432 ' CD2' ' HG ' ' B' ' 88' ' ' SER . 35.0 m-70 -89.2 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.811 ' SG ' ' HB1' ' B' ' 39' ' ' ALA . 18.2 p -142.3 143.16 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.599 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.736 HD13 ' O ' ' B' ' 56' ' ' CYS . 28.7 mm -143.33 149.54 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.73 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -153.56 132.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.362 . . . . 0.0 111.257 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.01 -135.06 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.602 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.5 ptt180 -176.86 37.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.661 0.267 . . . . 0.0 111.082 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 20.5 t-20 165.31 81.64 0.0 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.209 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.84 ' CE1' HG21 ' D' ' 8' ' ' VAL . 18.3 p90 -176.4 140.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -93.71 142.08 15.84 Favored Glycine 0 N--CA 1.454 -0.135 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.937 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -144.31 146.35 32.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 117.861 0.83 . . . . 0.0 113.051 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' D' ' 4' ' ' THR . 14.7 m-85 -139.25 136.45 34.96 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.168 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.53 ' HB ' HG22 ' D' ' 4' ' ' THR . 17.1 t -158.41 158.19 2.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.647 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.407 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.0 m -105.51 152.51 22.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -169.16 147.21 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.01 156.86 34.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.17 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -61.95 157.1 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.62 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.609 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 66.04 36.78 5.59 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.235 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.0 m-70 -163.47 69.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.475 ' HB3' ' HB2' ' B' ' 12' ' ' ASP . 1.5 t80 -154.59 127.24 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.652 ' O ' HD12 ' B' ' 84' ' ' LEU . 13.2 tt -154.83 146.15 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.294 0.568 . . . . 0.0 111.718 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.768 ' HD2' HD13 ' B' ' 84' ' ' LEU . 2.1 t80 -155.66 136.56 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.135 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.548 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.9 p90 -165.24 142.27 5.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -78.85 149.75 32.43 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.988 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.957 HD13 ' HB2' ' B' ' 6' ' ' ALA . 28.1 tp -158.05 133.61 8.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 111.895 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 80' ' ' GLN . . . 66.77 -66.48 0.18 Allowed Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.868 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' B' ' 80' ' ' GLN . 39.7 tt0 179.0 38.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.096 0.474 . . . . 0.0 109.837 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.427 HG13 ' O ' ' B' ' 80' ' ' GLN . 31.5 m -159.42 137.83 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.176 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -71.68 137.67 48.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.6 mt -122.33 141.62 42.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.288 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' B' ' 75' ' ' TYR . 54.8 tp -136.11 139.65 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.61 ' O ' HG22 ' B' ' 74' ' ' ILE . 53.3 tp -154.43 141.45 19.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.029 0.443 . . . . 0.0 111.141 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 3.3 p90 -178.45 128.22 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.948 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.761 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.5 ptpt -80.06 164.34 23.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.178 0.513 . . . . 0.0 111.684 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.71 ' O ' HG22 ' B' ' 53' ' ' THR . 62.3 m -146.56 134.27 21.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.693 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.526 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.789 0.328 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' C' ' 2' ' ' LYS . 0.1 OUTLIER -164.52 142.86 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 110.983 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.804 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -86.99 132.87 33.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.33 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.9 t -74.79 143.59 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.615 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -143.76 118.55 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.44 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.615 HG23 ' O ' ' C' ' 5' ' ' GLY . 2.5 pp -163.09 168.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.422 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.2 pt20 -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.634 HG21 ' OH ' ' A' ' 75' ' ' TYR . 53.6 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.8 p-10 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.875 0.369 . . . . 0.0 111.831 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.53 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.9 t -69.65 138.58 53.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.709 178.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.637 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -142.88 125.05 2.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.013 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.886 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -162.15 146.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.229 0.538 . . . . 0.0 111.992 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 15.2 pt20 -125.18 108.32 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.84 HG21 ' CE1' ' B' ' 62' ' ' PHE . 23.9 t -72.15 131.69 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.377 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.812 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.25 139.58 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.221 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.5 mp -79.76 147.24 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.953 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.96 -36.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 76.2 m-20 -143.47 48.67 1.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.624 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.12 143.75 56.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.499 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -162.29 54.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 111.496 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.5 ptp -169.68 -174.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -60.94 143.06 55.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.034 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -54.45 -43.06 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.617 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 17' ' ' MET . 12.3 pt-20 -58.03 -47.79 82.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.819 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 67.5 mtt -57.21 -51.12 70.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.697 0.284 . . . . 0.0 111.585 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.891 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 pt20 -60.5 -37.2 80.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.121 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.27 -44.08 80.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.121 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.527 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m-20 -65.45 -37.64 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -66.88 -41.16 87.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.236 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.896 HG22 ' CE2' ' A' ' 76' ' ' PHE . 59.9 t -64.87 -48.63 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.678 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -67.47 -41.88 83.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.13 -33.35 75.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.809 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.92 -40.82 75.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 109.775 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -60.23 -48.14 83.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.257 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 73.5 mt-30 -58.25 -38.73 77.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.676 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -54.1 -49.58 68.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.904 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.839 ' CD2' HD11 ' A' ' 38' ' ' ILE . 63.3 mt -58.73 -43.8 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.79 -33.69 73.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.435 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -87.71 -44.8 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.514 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 92.6 m-85 -110.35 -45.91 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.868 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.539 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER 67.88 43.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 110.161 -179.281 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.569 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.5 mt -153.44 122.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.461 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.648 ' HA ' HD12 ' A' ' 38' ' ' ILE . 11.8 pt-20 -43.94 -44.56 7.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.018 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.89 -58.81 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.434 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HB3' ' CG ' ' A' ' 32' ' ' TYR . 57.4 m-20 -57.45 -42.83 83.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.549 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.839 HD11 ' CD2' ' A' ' 29' ' ' LEU . 91.8 mt -48.42 -52.59 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.156 0.503 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.677 ' HB1' ' CB ' ' A' ' 56' ' ' CYS . . . -64.75 -30.47 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.325 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.26 -62.83 1.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.506 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -61.93 -47.25 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.303 -178.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.809 HD11 ' HA ' ' A' ' 25' ' ' ALA . 83.4 mt -57.38 -38.86 64.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.237 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -61.33 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.155 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -57.56 -44.22 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.746 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.16 -52.64 64.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.653 0.263 . . . . 0.0 111.053 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.639 ' CD2' HD21 ' A' ' 85' ' ' LEU . 44.6 m-85 -66.15 -42.0 89.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.675 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 6.3 t0 -59.82 -36.4 76.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.506 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.56 -44.31 19.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.316 -179.228 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.0 -66.89 0.79 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.564 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.1 m-85 -79.06 -20.55 48.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.633 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.3 143.6 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.656 0.382 . . . . 0.0 110.205 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.44 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 13.6 Cg_endo -57.4 170.51 1.7 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.631 2.22 . . . . 0.0 113.102 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 88' ' ' SER . 13.5 t -116.74 109.66 17.43 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 121.05 0.453 . . . . 0.0 111.193 0.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.759 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.0 m95 -85.77 124.29 32.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.462 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.499 ' HD1' HG13 ' B' ' 66' ' ' VAL . 45.1 m-70 -91.44 131.29 37.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.986 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.677 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . 80.1 m -120.56 139.99 52.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.237 0.541 . . . . 0.0 111.856 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.437 HG23 ' O ' ' B' ' 63' ' ' GLY . 56.7 mt -151.49 137.55 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.674 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -153.21 135.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.468 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.4 -132.07 1.86 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.706 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 26.3 ptt-85 -178.89 35.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 38.4 t30 167.71 81.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.648 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 15.1 p90 -166.92 138.08 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.425 0.631 . . . . 0.0 112.618 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.64 142.32 16.02 Favored Glycine 0 N--CA 1.454 -0.164 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.8 m -159.84 154.64 24.44 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 22.0 m-85 -144.03 142.42 30.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.067 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 67' ' ' THR . 54.2 t -157.46 166.73 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.602 ' N ' HG12 ' A' ' 66' ' ' VAL . 91.5 m -126.24 142.41 51.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.9 p80 -162.65 151.88 15.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.653 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt-20 -60.82 145.71 48.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.2 p -59.77 152.75 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.692 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 66.58 37.54 4.43 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.146 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.427 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 64.3 m80 -157.54 56.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 5.6 t80 -164.76 144.91 7.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.148 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.872 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -158.37 135.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.07 0.462 . . . . 0.0 111.25 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.872 ' N ' HD13 ' A' ' 74' ' ' ILE . 45.3 t80 -134.16 142.42 47.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.653 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.896 ' CE2' HG22 ' A' ' 22' ' ' VAL . 1.1 p90 -169.92 137.84 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.145 0.497 . . . . 0.0 111.999 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -83.0 154.82 24.28 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.146 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.812 HD13 ' HB2' ' A' ' 6' ' ' ALA . 51.3 tp -161.09 131.27 5.04 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.99 -66.47 0.13 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.236 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.463 ' O ' HG13 ' A' ' 81' ' ' VAL . 26.3 pt20 -178.62 36.86 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.079 0.466 . . . . 0.0 110.173 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.1 m -160.34 135.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -82.43 125.27 30.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 83' ' ' ILE . 3.2 mp -103.77 140.07 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.262 178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 64.3 tp -136.8 138.8 41.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.639 HD21 ' CD2' ' A' ' 46' ' ' PHE . 58.0 tp -156.66 139.41 15.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.828 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.529 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 2.6 p90 -176.2 128.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.437 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.759 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -81.54 163.5 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -179.654 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.735 ' O ' HG22 ' A' ' 53' ' ' THR . 47.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.913 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.735 0.302 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -96.56 137.06 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.631 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -88.64 144.35 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -124.15 -50.36 1.8 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.496 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -100.05 -58.92 1.81 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.351 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.777 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . 60.93 136.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.046 0.451 . . . . 0.0 111.677 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 36.8 t70 -179.58 48.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.207 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.852 ' HE2' ' HB3' ' B' ' 17' ' ' MET . 86.4 mtp -152.38 138.38 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.632 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 63.2 p -45.13 147.35 0.73 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.2 pt-20 -39.25 -46.23 1.49 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.512 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 23.0 pt-20 -65.2 -44.3 88.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.787 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.852 ' HB3' ' HE2' ' B' ' 13' ' ' MET . 90.1 mtp -63.78 -45.14 91.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.289 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.791 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.1 pt20 -67.49 -38.77 84.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.652 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 15.0 pt20 -71.56 -32.54 68.21 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.408 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -69.5 -40.78 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.521 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -69.24 -44.59 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.037 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 18' ' ' GLN . 62.0 t -66.17 -43.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.427 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -69.06 -42.54 76.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.61 -34.97 79.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.689 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.38 -38.55 78.07 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.185 0.517 . . . . 0.0 109.875 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -59.92 -45.91 91.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.173 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.3 -38.85 88.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.806 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.49 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -55.26 -46.06 76.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.287 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.718 ' CD2' HD11 ' B' ' 38' ' ' ILE . 70.6 mt -64.32 -45.54 87.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.66 -32.92 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.231 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -84.32 -35.18 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.979 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -121.74 -44.48 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.841 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 64.95 41.58 4.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.9 mt -152.74 112.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.449 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.666 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.7 OUTLIER -41.3 -41.91 2.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.26 -179.385 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -59.02 -56.16 25.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.241 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -61.95 -40.49 95.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.698 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.718 HD11 ' CD2' ' B' ' 29' ' ' LEU . 81.6 mt -46.45 -54.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.41 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.114 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -67.69 -63.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.49 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.86 -46.55 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.661 -178.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.689 HD11 ' HA ' ' B' ' 25' ' ' ALA . 68.3 mt -59.61 -46.71 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.612 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.47 ' HB3' ' NZ ' ' B' ' 43' ' ' LYS . 4.5 ttpm? -58.03 -50.0 74.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.774 0.321 . . . . 0.0 111.158 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -59.31 -45.06 92.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.562 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.54 -49.09 73.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 111.056 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' B' ' 85' ' ' LEU . 28.7 m-85 -63.5 -45.95 88.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.565 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 64.4 m-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.407 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.5 tmtp? -76.12 -40.7 52.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.433 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -82.62 -60.87 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.27 -21.47 31.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 64.0 m-20 93.54 142.27 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 122.656 0.382 . . . . 0.0 109.995 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.98 168.65 0.79 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.311 2.008 . . . . 0.0 112.786 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 88' ' ' SER . 9.9 t -117.87 118.97 33.46 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 122.63 0.372 . . . . 0.0 111.256 0.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.621 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.9 m95 -94.11 127.6 40.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.344 0.592 . . . . 0.0 112.368 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.534 ' ND1' HG13 ' A' ' 66' ' ' VAL . 32.7 m-70 -101.39 137.79 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.125 178.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.6 t -139.64 149.4 43.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.347 0.594 . . . . 0.0 112.273 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.497 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 62.9 mt -150.73 143.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.803 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 58.2 t -155.1 132.44 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 111.418 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 173.88 -141.63 6.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.692 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 25.3 mmt180 -160.44 37.85 0.17 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 45.9 t30 163.97 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.648 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 9.7 p90 -164.78 141.91 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -89.59 142.28 16.58 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 55.4 m -144.68 145.41 31.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.567 0.683 . . . . 0.0 112.512 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.478 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 3.7 t80 -152.31 129.78 11.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.257 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.624 HG12 ' N ' ' B' ' 67' ' ' THR . 45.7 t -158.33 168.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.121 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.624 ' N ' HG12 ' B' ' 66' ' ' VAL . 99.6 m -124.5 142.09 51.59 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -161.29 148.22 14.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.091 0.472 . . . . 0.0 112.073 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.74 154.44 33.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.21 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.5 p -62.85 154.32 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.675 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.61 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.14 38.45 8.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 88.9 m-70 -162.84 69.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.274 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.656 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 5.5 t80 -176.86 145.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.444 ' O ' HG23 ' B' ' 74' ' ' ILE . 11.9 tt -163.32 125.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.123 0.487 . . . . 0.0 111.842 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.478 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 45.5 t80 -117.87 136.44 53.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.151 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.9 p90 -170.04 138.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.004 0.431 . . . . 0.0 111.546 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -78.85 147.2 33.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.913 HD13 ' HB2' ' B' ' 6' ' ' ALA . 48.2 tp -162.63 144.96 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.82 39.64 68.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.322 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.463 ' O ' HG13 ' B' ' 81' ' ' VAL . 10.0 mm100 59.67 36.75 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.608 0.242 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 78' ' ' LEU . 28.8 m -159.92 136.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.478 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.44 136.66 51.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' B' ' 78' ' ' LEU . 60.8 mt -127.67 143.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 63.0 tp -139.38 140.76 37.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.691 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.532 HD21 ' CE2' ' B' ' 46' ' ' PHE . 57.6 tp -153.61 138.73 17.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.759 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.656 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.2 p90 -177.56 131.31 0.16 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 63.5 pttt -91.73 148.69 22.06 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.182 0.515 . . . . 0.0 111.882 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.625 ' O ' HG22 ' B' ' 53' ' ' THR . 46.8 t -119.64 129.55 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.673 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.597 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.506 ' HE3' HG22 ' A' ' 67' ' ' THR . 93.9 mmm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.792 0.329 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.496 ' NZ ' ' HB3' ' C' ' 2' ' ' LYS . 8.4 mtpm? -158.18 130.42 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.568 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 43.5 p-10 -76.57 120.45 21.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.635 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.529 HG21 ' HE2' ' A' ' 73' ' ' PHE . 11.7 t -80.25 132.8 35.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.257 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.02 134.05 9.05 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.799 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 pt -153.59 167.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.517 0.675 . . . . 0.0 112.261 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 2.9 tp60 -158.74 76.77 0.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.841 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.555 HG22 ' OH ' ' A' ' 75' ' ' TYR . 48.1 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.3 p-10 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 111.548 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.525 HG22 ' HB ' ' B' ' 66' ' ' VAL . 12.7 t -76.32 137.66 40.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -135.34 127.06 4.2 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.975 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 47.5 pt -157.5 170.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.092 0.473 . . . . 0.0 111.432 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -162.15 87.58 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.985 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.2 t -69.5 146.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.341 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.6 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.113 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.741 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.786 0.326 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 23.9 m -108.72 137.92 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.783 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.846 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -85.09 138.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.799 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -119.42 -48.32 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.372 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.486 HD21 ' HZ ' ' A' ' 73' ' ' PHE . 55.5 m-20 -93.7 -58.52 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.846 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . 61.2 129.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.511 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 64.8 t0 179.03 47.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.057 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.485 ' HE3' ' N ' ' A' ' 73' ' ' PHE . 58.8 mtt -157.93 144.95 18.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.629 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -49.38 144.66 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.64 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -42.13 -40.54 2.35 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.47 -45.79 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.468 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.412 ' HB3' ' HB3' ' A' ' 13' ' ' MET . 46.7 ttm -60.69 -50.32 73.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.667 0.27 . . . . 0.0 111.154 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.9 pt20 -61.77 -35.54 78.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.364 . . . . 0.0 110.469 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.11 -44.56 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -36.95 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.685 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.7 m -64.56 -43.4 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.986 0.422 . . . . 0.0 109.925 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' GLN . 75.5 t -63.27 -47.47 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.66 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.8 -44.64 85.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.1 m -63.63 -32.51 74.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.716 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -71.31 -38.37 71.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.436 ' HA ' HD12 ' A' ' 29' ' ' LEU . 87.2 m -62.41 -47.32 84.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.349 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.1 tt0 -60.2 -48.73 80.5 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.938 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.949 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -53.19 -35.41 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.825 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 38' ' ' ILE . 44.8 mt -63.09 -54.92 30.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.035 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 20.4 pt-20 -59.19 -21.11 58.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.081 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 31.3 mmmt -71.13 -40.65 71.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -153.75 -45.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 179.176 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER 67.87 57.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 34' ' ' ILE . 30.8 mt -136.44 29.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 38' ' ' ILE . 8.1 mp0 64.29 -63.47 0.16 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.424 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.3 ttpm? -56.61 -57.0 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 111.441 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.591 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 m-20 -58.35 -40.31 81.84 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.199 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.949 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 56.1 mt -49.83 -46.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.312 0.577 . . . . 0.0 110.07 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -67.02 -25.86 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.988 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 37' ' ' ASP . . . -62.52 -47.88 82.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.441 . . . . 0.0 110.692 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.485 ' NE2' ' HG3' ' A' ' 31' ' ' LYS . 66.4 m-70 -68.41 -47.49 67.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.379 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.789 ' CG2' HD22 ' A' ' 85' ' ' LEU . 60.9 mt -63.25 -44.55 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.013 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 39' ' ' ALA . 14.9 ptmm? -62.93 -48.22 79.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.663 0.268 . . . . 0.0 111.576 -179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 67.1 mttm -70.26 -44.6 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -54.47 -51.74 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.479 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -70.09 -41.49 73.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 5.2 t0 -57.88 -37.18 73.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.44 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.2 tmtt? -75.98 -45.36 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.784 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -81.94 -64.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -76.38 -21.97 55.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.552 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 35.4 t30 92.2 137.44 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.475 0 O-C-N 123.289 0.368 . . . . 0.0 110.25 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.432 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 8.0 Cg_endo -50.52 169.77 0.15 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.772 2.315 . . . . 0.0 113.269 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.889 HG22 ' O ' ' A' ' 88' ' ' SER . 12.9 t -117.41 106.64 13.43 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.161 0.505 . . . . 0.0 111.416 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.73 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.3 m95 -85.88 122.46 29.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.102 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.466 ' ND1' HG13 ' B' ' 66' ' ' VAL . 32.3 m-70 -96.35 133.87 40.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.818 ' C ' HD12 ' A' ' 57' ' ' ILE . 42.8 t -132.7 138.61 47.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.396 0.617 . . . . 0.0 112.401 -178.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.927 HD13 HD23 ' A' ' 84' ' ' LEU . 2.7 mp -137.67 139.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.378 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.9 t -144.77 137.16 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 111.305 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.83 -133.27 2.59 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.06 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.5 ptt180 -179.72 37.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.737 0.304 . . . . 0.0 111.564 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 45.2 t30 174.19 77.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.355 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.745 ' CE2' HG21 ' A' ' 57' ' ' ILE . 5.7 p90 -170.08 134.96 1.3 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 0.0 111.796 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -107.36 139.24 14.9 Favored Glycine 0 N--CA 1.455 -0.059 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.487 ' HB3' HG23 ' B' ' 57' ' ' ILE . 79.0 p -161.11 165.08 30.17 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.758 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 13.6 m-85 -133.8 148.41 51.34 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.173 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 16.0 t -157.85 166.29 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.542 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.8 m -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.1 p80 -165.21 143.41 6.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.016 0.436 . . . . 0.0 112.049 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 148.9 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.821 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.529 HG23 ' H1 ' ' C' ' 1' ' ' MET . 77.1 p -59.13 153.94 17.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.455 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 10.9 mmpt? 65.21 39.16 5.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.616 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 78.3 m-70 -165.18 55.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.375 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 44.7 t80 -157.75 141.26 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.636 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 85' ' ' LEU . 11.4 tt -160.58 137.93 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.248 0.547 . . . . 0.0 112.046 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' C' ' 8' ' ' VAL . 47.0 t80 -142.33 132.77 25.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.187 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.527 ' CE2' HG22 ' A' ' 22' ' ' VAL . 1.4 p90 -165.39 138.4 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.042 0.449 . . . . 0.0 111.958 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.752 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 54.2 m-85 -77.33 143.49 38.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.302 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 6' ' ' ALA . 39.3 tp -170.36 143.44 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.02 40.81 91.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.454 ' O ' HG13 ' A' ' 81' ' ' VAL . 83.8 mt-30 56.21 33.54 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.6 m -159.95 132.15 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -74.55 130.15 39.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 83' ' ' ILE . 4.1 mp -106.45 140.79 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.927 HD23 HD13 ' A' ' 57' ' ' ILE . 55.0 tp -130.15 139.39 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.518 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD22 ' CG2' ' A' ' 42' ' ' ILE . 50.0 tp -159.9 136.47 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.542 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -176.26 129.28 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.236 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.73 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 18.1 ptpt -79.0 163.24 25.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.991 0.424 . . . . 0.0 111.487 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.889 ' O ' HG22 ' A' ' 53' ' ' THR . 47.2 t . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.929 ' HB2' HD12 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.89 0.376 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 19.1 m -101.53 138.08 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.416 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.691 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -85.73 149.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.279 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -140.94 -40.65 0.4 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.296 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -131.94 49.85 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.691 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -58.49 142.59 48.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -168.52 59.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.409 ' HG3' ' HB3' ' B' ' 18' ' ' GLN . 11.2 ptp -173.53 150.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.144 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -40.99 144.94 0.23 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.83 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -48.83 -47.19 42.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.087 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.463 ' OE2' ' HB2' ' B' ' 17' ' ' MET . 1.1 pp20? -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.175 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.463 ' HB2' ' OE2' ' B' ' 16' ' ' GLU . 46.5 ttm -71.72 -48.53 46.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.349 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.771 ' O ' HG23 ' B' ' 22' ' ' VAL . 13.7 pt20 -65.92 -40.5 91.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.499 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -66.14 -38.02 87.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.729 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.6 -38.09 77.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.471 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.505 ' OG ' HD23 ' B' ' 85' ' ' LEU . 43.9 t -68.38 -44.54 74.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.102 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 18' ' ' GLN . 53.1 t -65.95 -44.66 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.26 -42.48 83.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.086 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.51 -32.17 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.733 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.633 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.02 -40.16 78.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 109.598 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.0 m -59.52 -46.1 89.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.221 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -58.87 -42.06 88.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.953 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.811 ' CB ' HG23 ' B' ' 38' ' ' ILE . . . -56.55 -40.92 75.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.005 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.818 HD23 HD11 ' B' ' 38' ' ' ILE . 50.2 mt -63.66 -49.24 73.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 111.422 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -69.23 -30.63 68.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.315 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.79 -32.32 19.14 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.472 ' O ' ' ND2' ' B' ' 33' ' ' ASN . 3.7 m-85 -124.86 -37.09 2.49 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.539 ' O ' HD13 ' B' ' 34' ' ' ILE . 0.4 OUTLIER 53.12 44.84 29.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.067 0.46 . . . . 0.0 111.013 -179.216 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.539 HD13 ' O ' ' B' ' 33' ' ' ASN . 45.1 mm -150.65 123.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.449 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -49.93 -45.15 50.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.138 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.502 ' HB2' ' HB3' ' C' ' 7' ' ' GLN . 0.8 OUTLIER -67.66 -48.93 65.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.703 -179.165 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -64.77 -44.11 91.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.364 . . . . 0.0 111.41 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.818 HD11 HD23 ' B' ' 29' ' ' LEU . 68.2 mt -54.41 -54.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.909 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -62.1 -27.42 68.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.872 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.758 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -67.54 -61.16 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -60.24 -49.14 78.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.018 -178.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' B' ' 25' ' ' ALA . 67.8 mt -57.66 -38.06 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.428 ' CE ' ' HB3' ' A' ' 65' ' ' TYR . 24.6 ttpp -58.58 -49.85 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.012 0.434 . . . . 0.0 110.622 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -64.37 -44.24 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.882 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.0 mm-40 -54.74 -52.37 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.325 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.454 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 12.1 m-85 -72.49 -41.15 66.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.447 ' OD1' ' HG3' ' B' ' 52' ' ' PRO . 4.7 t70 -57.4 -37.08 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.786 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -88.82 -39.63 13.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.772 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' B' ' 50' ' ' TYR . 55.8 tptt -74.21 -69.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.508 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 9.7 m-30 -76.29 -6.62 52.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 94.07 142.29 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 C-N-CA 123.081 0.552 . . . . 0.0 110.697 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.447 ' HG3' ' OD1' ' B' ' 47' ' ' ASP . 16.6 Cg_exo -65.12 167.2 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.419 2.079 . . . . 0.0 112.622 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.508 HG23 ' O ' ' B' ' 53' ' ' THR . 13.9 t -118.54 115.7 25.12 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.916 0.486 . . . . 0.0 110.742 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.744 ' CG ' ' HB3' ' B' ' 87' ' ' LYS . 22.5 m95 -87.92 134.85 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.348 0.594 . . . . 0.0 112.464 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -105.0 128.77 53.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.824 ' C ' HD12 ' B' ' 57' ' ' ILE . 77.6 m -119.53 134.03 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.547 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.824 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.9 mp -141.48 139.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.808 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 46.8 t -155.35 136.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 0.0 111.322 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.06 -138.55 3.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.839 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 6.7 ptp85 -169.03 33.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.513 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 29.0 t30 165.34 82.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.411 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' B' ' 57' ' ' ILE . 26.1 p90 -169.12 135.67 1.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -93.96 140.12 14.89 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.642 ' OG ' HG23 ' A' ' 57' ' ' ILE . 49.8 m -147.57 151.56 36.48 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.401 ' C ' HG23 ' B' ' 66' ' ' VAL . 10.8 m-85 -137.04 134.66 36.8 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.17 -1.377 . . . . 0.0 109.103 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.551 HG12 ' N ' ' B' ' 67' ' ' THR . 24.9 t -157.7 165.15 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.265 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.551 ' N ' HG12 ' B' ' 66' ' ' VAL . 93.8 m -118.15 151.1 38.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -163.75 150.88 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -62.31 143.84 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.01 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 67.7 p -58.86 150.05 25.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.744 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.633 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 64.82 35.54 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.474 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.1 m80 -157.07 69.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 8.1 t80 -170.93 146.15 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.063 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' B' ' 18' ' ' GLN . 8.7 tt -166.48 130.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.69 ' CD2' HD13 ' B' ' 84' ' ' LEU . 2.6 t80 -118.71 137.49 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.688 ' HD2' ' HB1' ' B' ' 6' ' ' ALA . 3.2 p90 -167.23 137.0 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.013 0.435 . . . . 0.0 112.17 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.683 ' CE2' ' HB2' ' B' ' 82' ' ' ALA . 8.6 m-85 -86.06 148.98 25.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.929 HD12 ' HB2' ' B' ' 6' ' ' ALA . 4.6 tt -157.14 136.24 11.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.483 . . . . 0.0 111.608 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.772 ' N ' HD23 ' B' ' 78' ' ' LEU . . . 69.79 -82.66 0.3 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.483 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.459 ' O ' HG13 ' B' ' 81' ' ' VAL . 71.4 mt-30 -161.8 33.37 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.805 0.335 . . . . 0.0 110.347 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.554 ' O ' HD12 ' B' ' 83' ' ' ILE . 30.6 m -159.37 134.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.683 ' HB2' ' CE2' ' B' ' 77' ' ' TYR . . . -70.68 127.39 32.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.578 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.554 HD12 ' O ' ' B' ' 81' ' ' VAL . 4.7 mp -108.22 140.48 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' B' ' 75' ' ' TYR . 58.3 tp -136.06 135.41 39.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.775 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' B' ' 56' ' ' CYS . 55.3 tp -146.64 135.52 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.345 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.497 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.3 p90 -176.7 130.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.075 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.744 ' HB3' ' CG ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -105.73 171.07 7.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.284 0.564 . . . . 0.0 112.429 -179.053 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.4 t -143.06 136.11 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.703 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.388 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.529 ' H1 ' HG23 ' A' ' 70' ' ' THR . 3.5 mpp? . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -158.37 136.39 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.583 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -76.06 120.57 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.9 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.4 t -74.78 152.42 39.03 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.391 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.65 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -155.06 125.85 1.76 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.784 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.844 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.3 pp -161.39 144.08 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 0.0 112.259 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.502 ' HB3' ' HB2' ' B' ' 36' ' ' LYS . 17.1 pt20 -116.61 89.19 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.659 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' A' ' 75' ' ' TYR . 45.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.0 t70 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.692 0.282 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.489 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.7 t -79.99 142.76 34.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.588 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.672 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -144.87 125.76 2.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.88 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.813 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.3 pp -162.56 149.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 111.93 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.512 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 11.9 pt20 -132.69 127.61 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 51.4 t -114.98 142.98 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 111.037 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.668 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.11 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -95.67 136.9 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.361 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.611 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -76.52 134.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.793 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -115.83 -34.61 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -156.24 51.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.358 . . . . 0.0 111.342 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . . . -58.8 141.29 53.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -157.69 74.82 0.76 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.317 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 61.1 mtt -156.27 -166.87 2.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.93 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' GLU . 56.4 m -86.74 38.96 0.82 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.278 0.474 . . . . 0.0 112.278 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 65.31 -59.67 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 14' ' ' SER . 24.6 pt-20 -59.22 -41.36 88.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.37 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 63.3 mtt -60.51 -51.0 71.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.394 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.804 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.7 pt20 -61.21 -37.47 83.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.807 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -61.63 -41.62 97.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.08 -37.37 81.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.515 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 m -68.16 -42.85 79.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.923 0.392 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 18' ' ' GLN . 50.2 t -65.52 -45.68 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.594 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.71 -42.17 78.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.039 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.12 -34.41 77.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.731 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -68.59 -39.85 80.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.374 0.607 . . . . 0.0 109.753 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.5 m -58.65 -45.49 89.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.155 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.42 -42.44 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.726 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB1' HG13 ' A' ' 38' ' ' ILE . . . -51.9 -46.6 64.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.658 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 78' ' ' LEU . 66.2 mt -59.2 -52.75 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.25 0.548 . . . . 0.0 110.798 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.01 -31.36 72.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.93 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 98.2 mttt -78.9 -37.36 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.785 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 42.4 m-85 -145.82 -53.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 42.5 t30 62.5 32.32 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.468 . . . . 0.0 110.058 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 34' ' ' ILE . 40.3 mm -101.02 25.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.708 ' N ' HD13 ' A' ' 38' ' ' ILE . 56.2 mt-10 55.76 -66.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.639 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.5 ttpm? -59.71 -54.2 49.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.325 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -55.19 -34.58 64.0 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.015 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.708 HD13 ' N ' ' A' ' 35' ' ' GLU . 2.0 mp -57.53 -59.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.618 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.56 68.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.071 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.802 ' HB2' ' CZ ' ' B' ' 65' ' ' TYR . . . -66.02 -62.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -64.43 -47.56 78.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.742 -178.634 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 25' ' ' ALA . 74.9 mt -55.73 -47.86 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.654 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.433 ' CE ' ' HB3' ' B' ' 65' ' ' TYR . 24.9 ttpp -59.08 -50.67 73.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -55.62 -44.44 77.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -57.84 -47.16 83.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.724 0.297 . . . . 0.0 111.218 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.5 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 36.3 m-85 -65.95 -43.37 88.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.2 m-20 -59.88 -42.66 94.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 111.326 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -77.04 -41.15 43.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.939 -179.352 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.8 -64.88 1.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 2.9 m-85 -79.81 -17.9 52.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.528 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 33.5 m-20 95.29 141.87 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.606 0 C-N-CA 122.853 0.461 . . . . 0.0 110.249 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 20.5 Cg_endo -60.55 169.39 5.47 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.556 2.17 . . . . 0.0 112.899 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 88' ' ' SER . 13.0 t -117.37 112.73 21.11 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 111.289 0.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 21.5 m95 -88.38 134.35 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.471 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -109.24 131.96 54.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.73 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 47.9 t -137.35 147.29 45.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.314 0.578 . . . . 0.0 112.291 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.627 HG21 ' CE2' ' A' ' 62' ' ' PHE . 41.3 mt -152.13 145.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.803 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 83' ' ' ILE . 46.6 t -150.77 136.0 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 111.474 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.18 -134.35 2.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.007 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.71 ' HA ' HG11 ' C' ' 8' ' ' VAL . 39.4 ptt180 -174.27 39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.634 0.254 . . . . 0.0 111.634 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 42.6 t30 170.35 79.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.627 ' CE2' HG21 ' A' ' 57' ' ' ILE . 4.7 p90 -173.49 130.97 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -94.15 137.21 13.41 Favored Glycine 0 C--O 1.228 -0.267 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.735 ' HB3' HG23 ' B' ' 57' ' ' ILE . 83.3 p -144.63 147.19 32.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 117.914 0.857 . . . . 0.0 113.253 -178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.475 ' CD2' ' HB2' ' B' ' 40' ' ' ALA . 3.6 t80 -127.67 133.83 49.62 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.609 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.636 HG11 ' CE1' ' A' ' 86' ' ' PHE . 24.9 t -155.87 168.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.608 ' N ' HG12 ' A' ' 66' ' ' VAL . 96.1 m -118.54 146.47 44.54 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CD2' ' HB ' ' C' ' 4' ' ' THR . 30.5 p80 -161.59 141.86 10.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.975 0.417 . . . . 0.0 111.944 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.24 150.48 45.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.764 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.744 HG23 ' N ' ' C' ' 1' ' ' MET . 74.8 p -58.79 151.54 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.859 0.361 . . . . 0.0 111.437 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.668 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.88 38.29 9.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.517 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.497 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 34.0 m80 -164.79 53.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.7 t80 -162.91 147.37 11.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.252 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.797 HD12 ' CB ' ' A' ' 18' ' ' GLN . 7.8 tt -164.98 141.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.625 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.549 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 43.0 t80 -137.59 131.7 32.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.144 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.0 p90 -160.56 141.05 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.423 . . . . 0.0 111.867 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 5.7 m-85 -77.58 149.72 34.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' A' ' 29' ' ' LEU . 38.7 tp -170.0 140.61 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 111.536 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.6 41.63 74.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.443 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.446 ' O ' HG13 ' A' ' 81' ' ' VAL . 73.1 mt-30 57.31 35.99 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.806 0.336 . . . . 0.0 110.97 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 78' ' ' LEU . 27.1 m -159.18 133.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -72.94 129.9 39.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.34 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 58' ' ' VAL . 51.7 mt -112.32 139.01 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.576 HD21 ' HE2' ' A' ' 86' ' ' PHE . 51.7 tp -127.86 141.74 51.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.458 HD21 ' CE2' ' A' ' 46' ' ' PHE . 58.8 tp -157.73 138.32 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.152 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.636 ' CE1' HG11 ' A' ' 66' ' ' VAL . 11.1 p90 179.24 131.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.504 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.64 170.38 9.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 111.78 -178.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.623 ' O ' HG22 ' A' ' 53' ' ' THR . 46.9 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.688 0.28 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' B' ' 77' ' ' TYR . 27.7 m -87.02 141.03 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.589 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.496 HG12 ' HB3' ' B' ' 76' ' ' PHE . 21.6 mt -109.96 134.11 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 111.631 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' B' ' 9' ' ' LYS . 7.1 mmpt? -110.91 -36.94 5.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.361 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 73.2 m-80 -132.36 143.71 50.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.48 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.55 140.17 22.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.952 0.406 . . . . 0.0 111.189 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -156.5 53.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 15.4 ptp -166.45 150.75 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.2 m -44.23 146.12 0.7 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.503 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 65.3 mm-40 -46.27 -42.33 14.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.581 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -63.04 -41.97 99.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.355 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.433 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 80.0 mtp -65.86 -47.8 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.015 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.707 ' O ' HG23 ' B' ' 22' ' ' VAL . 13.2 pt20 -64.7 -38.27 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.437 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.3 pt20 -71.48 -39.5 70.85 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.418 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.423 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.7 t70 -64.44 -38.8 92.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 -44.07 90.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 109.972 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 18' ' ' GLN . 51.2 t -65.41 -45.06 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.325 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 19' ' ' GLN . 56.8 mt-10 -64.33 -45.27 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.555 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' CYS . . . . . 0.401 ' HB3' HG12 ' B' ' 42' ' ' ILE . 96.7 m -61.23 -36.69 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.883 ' CA ' HD11 ' B' ' 42' ' ' ILE . . . -69.39 -38.2 77.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.262 0.553 . . . . 0.0 109.848 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.6 m -60.98 -44.42 97.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.465 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -60.33 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.369 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.52 ' HB3' HG12 ' B' ' 38' ' ' ILE . . . -55.12 -41.88 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.69 ' CD2' HD11 ' B' ' 38' ' ' ILE . 51.1 mt -63.63 -53.35 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.58 -28.62 67.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.472 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.3 mttt -87.67 -18.55 29.3 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.513 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 56.7 m-85 -146.5 -39.57 0.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' B' ' 32' ' ' TYR . 73.9 m-80 69.33 48.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.833 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.796 HD12 ' OD2' ' B' ' 37' ' ' ASP . 55.1 mt -141.76 125.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -53.76 -52.13 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.575 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -57.16 -55.09 39.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.123 0.487 . . . . 0.0 111.32 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.796 ' OD2' HD12 ' B' ' 34' ' ' ILE . 28.1 m-20 -50.47 -43.23 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.047 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.69 HD11 ' CD2' ' B' ' 29' ' ' LEU . 96.8 mt -50.67 -47.66 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 111.538 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 65' ' ' TYR . . . -62.53 -38.79 91.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.768 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.475 ' HB2' ' CD2' ' A' ' 65' ' ' TYR . . . -65.17 -48.74 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.513 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 68.4 m-70 -64.0 -54.03 40.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.883 HD11 ' CA ' ' B' ' 25' ' ' ALA . 54.2 mt -59.03 -45.36 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.657 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.444 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 14.2 tmtt? -57.89 -53.56 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.052 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.31 -47.91 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.13 -46.98 72.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.618 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 25.6 m-85 -64.97 -41.81 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.2 m-20 -56.53 -37.21 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.166 0.507 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.529 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.4 tmtp? -72.78 -41.38 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.434 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -84.58 -61.38 1.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.0 m-85 -84.63 -18.89 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.2 t30 92.36 135.99 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.442 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 9.8 Cg_endo -52.96 169.31 0.39 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.858 2.372 . . . . 0.0 113.112 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.9 t -114.11 126.84 55.54 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.291 0.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.678 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 25.4 m95 -101.76 130.73 48.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.246 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.485 ' O ' HD12 ' B' ' 85' ' ' LEU . 23.6 m-70 -111.03 141.67 44.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.783 ' C ' HD12 ' B' ' 57' ' ' ILE . 45.6 t -146.77 144.29 29.27 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.466 -178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.783 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.4 mp -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.907 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.501 HG13 HG12 ' B' ' 83' ' ' ILE . 59.5 t -156.87 133.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 110.985 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.39 -138.2 3.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -175.08 34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.633 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 41.2 t30 168.53 79.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.375 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.694 ' CE2' HG21 ' B' ' 57' ' ' ILE . 5.0 p90 -173.3 133.67 0.51 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.92 0.39 . . . . 0.0 111.793 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -82.43 138.63 18.65 Favored Glycine 0 C--O 1.228 -0.265 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.7 t -140.64 144.91 35.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.202 1.001 . . . . 0.0 113.596 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.802 ' CZ ' ' HB2' ' A' ' 40' ' ' ALA . 12.4 m-85 -137.44 132.94 34.12 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.154 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.807 HG11 ' CE1' ' B' ' 86' ' ' PHE . 32.2 t -157.21 161.71 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-O 120.716 0.293 . . . . 0.0 111.77 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.534 ' N ' HG12 ' B' ' 66' ' ' VAL . 53.7 m -113.27 143.05 45.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -157.27 137.45 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 112.137 -178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -53.99 140.5 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.098 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -54.01 149.61 9.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.418 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 65.48 35.0 7.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.454 ' HB3' ' HG3' ' B' ' 87' ' ' LYS . 62.7 m80 -157.85 69.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.595 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.937 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 6.7 t80 -173.42 147.98 1.54 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.254 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.749 ' O ' HD12 ' B' ' 84' ' ' LEU . 7.9 tt -166.33 134.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.413 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.481 ' O ' HG23 ' B' ' 8' ' ' ILE . 5.1 t80 -120.61 137.11 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.73 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.637 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.7 p90 -168.47 134.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.854 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.528 ' HB2' HG22 ' B' ' 7' ' ' VAL . 69.0 m-85 -80.63 147.4 30.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.705 HD13 ' HB2' ' B' ' 6' ' ' ALA . 39.6 tp -165.45 141.42 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.241 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 41.71 81.03 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.391 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.44 ' O ' HG13 ' B' ' 81' ' ' VAL . 97.6 mm-40 56.12 36.11 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.789 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.476 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.5 m -158.61 131.86 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.823 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -69.73 142.8 53.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.387 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.501 HG12 HG13 ' B' ' 58' ' ' VAL . 58.1 mt -132.79 134.69 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.937 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 46.4 tp -136.02 142.25 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.589 HD21 ' CD2' ' B' ' 46' ' ' PHE . 63.4 tp -147.06 146.19 29.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.807 ' CE1' HG11 ' B' ' 66' ' ' VAL . 8.2 p90 -177.71 139.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.742 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.678 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -106.3 157.11 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.435 . . . . 0.0 111.612 -179.384 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 43.7 t -125.63 134.55 51.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.748 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.483 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.744 ' N ' HG23 ' A' ' 70' ' ' THR . 26.5 ptt? . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -158.04 150.48 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.485 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.6 p30 -73.37 129.97 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.684 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.477 ' HB ' ' CD2' ' A' ' 68' ' ' HIS . 10.6 t -84.05 135.06 34.57 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.448 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.652 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -129.35 120.52 3.22 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.734 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.776 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.0 pp -162.57 155.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.994 0.425 . . . . 0.0 111.639 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.467 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 12.2 pt20 -154.75 119.04 4.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.942 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.71 HG11 ' HA ' ' A' ' 60' ' ' ARG . 44.5 t . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.695 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 111.443 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.515 HG22 ' HB ' ' B' ' 66' ' ' VAL . 15.0 t -70.52 146.57 50.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.579 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -146.78 126.47 2.46 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.105 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.903 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -160.11 142.59 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 111.712 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.41 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 3.2 tm0? -113.95 90.34 3.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.111 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.474 HG23 HD13 ' D' ' 6' ' ' ILE . 59.6 t -69.58 141.38 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.9 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.647 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.813 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.778 0.323 . . . . 0.0 111.709 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.8 m -90.25 138.79 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.573 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.8 mp -78.49 147.27 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 31.2 mmmt -132.36 -37.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.619 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -147.58 50.92 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 111.673 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.65 144.35 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.574 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -163.6 57.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.339 . . . . 0.0 111.577 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 ptp -167.97 -174.75 2.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.403 ' HB2' ' HG3' ' A' ' 17' ' ' MET . 58.2 m -58.25 143.61 43.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 16.3 pt-20 -53.45 -46.04 69.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.369 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.4 -42.63 99.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.438 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 66.2 mtt -60.2 -50.31 74.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.799 0.333 . . . . 0.0 111.265 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.2 pt20 -63.18 -39.86 95.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 96.6 mm-40 -66.63 -41.45 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.549 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.78 -36.38 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.568 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.5 t -67.95 -42.6 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.1 t -63.54 -47.69 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.58 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.02 -43.64 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.952 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.4 t -63.73 -33.52 75.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.455 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.699 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.24 -39.24 78.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 109.707 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.7 m -57.67 -48.51 79.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.098 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.14 -36.28 79.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.566 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -57.1 -39.2 74.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.013 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.952 HD23 HD11 ' A' ' 38' ' ' ILE . 58.8 mt -70.07 -45.73 66.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.976 0.417 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.86 -33.55 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.295 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.31 -37.12 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.255 0.55 . . . . 0.0 110.491 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' C ' ' H ' ' A' ' 34' ' ' ILE . 6.2 m-85 -135.78 85.33 2.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.974 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -67.65 24.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.495 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.65 HD12 ' OD2' ' A' ' 37' ' ' ASP . 60.9 mt -114.61 131.58 66.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.34 -51.98 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.659 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HZ2' ' HB3' ' A' ' 36' ' ' LYS . 3.7 ttpm? -59.46 -56.33 23.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.124 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.65 ' OD2' HD12 ' A' ' 34' ' ' ILE . 56.5 m-20 -51.06 -43.19 60.93 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.952 HD11 HD23 ' A' ' 29' ' ' LEU . 65.8 mt -49.1 -53.5 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.091 0.472 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -65.89 -28.11 68.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.941 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.77 -60.68 2.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.504 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.1 -47.13 84.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.556 -178.797 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 25' ' ' ALA . 82.2 mt -57.84 -46.1 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.741 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -58.87 -51.09 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.647 -179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 68.0 mttm -54.23 -44.38 71.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 53.0 mm-40 -57.16 -50.72 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.682 0.277 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.544 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.8 m-85 -66.36 -43.99 84.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 111.467 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 60.7 t0 -54.11 -41.98 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -76.72 -42.63 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.952 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 66.7 mttm -79.01 -70.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.562 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 7.0 m-30 -73.26 -14.57 61.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.562 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.74 146.36 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 C-N-CA 122.959 0.503 . . . . 0.0 110.548 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.443 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 37.0 Cg_endo -67.71 170.18 14.48 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.33 2.02 . . . . 0.0 112.909 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -114.2 126.02 54.59 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 122.626 0.37 . . . . 0.0 110.873 -0.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.544 ' CE2' ' HB3' ' A' ' 46' ' ' PHE . 24.3 m95 -99.08 135.22 40.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.313 0.578 . . . . 0.0 112.449 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 24.2 m-70 -115.03 134.08 55.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.818 ' C ' HD12 ' A' ' 57' ' ' ILE . 49.9 t -137.54 140.74 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 112.428 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.818 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.2 mp -132.66 151.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -155.02 134.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.256 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.27 -134.52 2.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.146 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.0 ptt85 -178.53 38.01 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.668 0.271 . . . . 0.0 111.438 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 41.8 t30 165.07 81.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.129 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' A' ' 57' ' ' ILE . 4.0 p90 -170.8 136.85 1.21 Allowed 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.18 143.3 16.5 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.787 ' OG ' HG23 ' B' ' 57' ' ' ILE . 44.9 m -159.09 149.63 19.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' C' ' 3' ' ' ASP . 4.2 t80 -125.99 135.55 51.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.543 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.533 HG11 ' CE2' ' A' ' 86' ' ' PHE . 20.4 t -154.42 164.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.586 0.232 . . . . 0.0 111.514 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.2 m -117.27 153.67 32.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 25.9 p80 -163.86 142.69 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 112.077 -178.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.82 144.89 42.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.96 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.494 HG23 ' H2 ' ' C' ' 1' ' ' MET . 62.0 p -55.39 150.51 11.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.237 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 11.0 mmpt? 62.38 38.58 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.21 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.442 ' CE1' ' HD3' ' A' ' 87' ' ' LYS . 90.9 m-70 -158.51 56.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.622 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.642 ' HE1' HD11 ' A' ' 84' ' ' LEU . 32.9 t80 -155.69 140.55 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.994 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.646 HD12 ' CB ' ' A' ' 18' ' ' GLN . 11.8 tt -165.27 141.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.306 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.634 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 3.7 t80 -139.84 136.11 33.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.872 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.0 p90 -164.67 139.17 5.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.142 0.496 . . . . 0.0 112.17 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.8 m-85 -79.43 153.23 29.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' ' 6' ' ' ALA . 33.5 tp -158.68 131.6 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.008 0.433 . . . . 0.0 112.019 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.95 -65.57 0.19 Allowed Glycine 0 C--N 1.333 0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.02 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' O ' HG13 ' A' ' 81' ' ' VAL . 19.0 pt20 178.95 37.23 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.402 . . . . 0.0 110.028 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.3 m -158.91 137.52 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.634 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.9 137.89 52.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.015 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.427 HD12 ' HE1' ' A' ' 76' ' ' PHE . 57.7 mt -121.2 132.26 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD11 ' HE1' ' A' ' 73' ' ' PHE . 59.0 tp -128.63 139.83 52.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.6 tp -152.39 139.19 18.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.699 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.533 ' CE2' HG11 ' A' ' 66' ' ' VAL . 16.5 p90 -172.53 133.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.325 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 21.0 ptmt -102.59 151.47 22.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 111.048 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.751 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.453 HG23 ' HE2' ' B' ' 9' ' ' LYS . 23.9 m -105.63 138.18 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.282 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.626 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.46 145.05 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.842 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.453 ' HE2' HG23 ' B' ' 7' ' ' VAL . 75.0 mmtt -131.26 -35.48 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.714 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -144.81 54.24 1.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.893 0.378 . . . . 0.0 111.472 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.57 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -56.69 144.85 30.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -167.23 59.38 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.374 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.42 ' CE ' ' HB3' ' B' ' 17' ' ' MET . 50.2 ttp -175.19 163.52 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.711 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.5 m -43.05 138.13 2.21 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.645 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 95.0 mt-10 -50.65 -43.98 57.36 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.348 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.42 ' HB3' ' CE ' ' B' ' 13' ' ' MET . 65.1 mtt -66.41 -45.37 80.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.707 0.289 . . . . 0.0 111.259 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.892 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.1 pt20 -66.43 -36.98 84.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.404 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.1 pt20 -71.69 -40.88 69.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.795 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' B' ' 24' ' ' CYS . 1.0 OUTLIER -68.61 -37.06 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.858 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -66.63 -40.91 88.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.88 0.372 . . . . 0.0 110.339 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 18' ' ' GLN . 64.0 t -65.2 -49.86 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.689 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.3 -41.15 90.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.864 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 20' ' ' ASP . 44.9 t -60.94 -32.88 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.545 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.748 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -70.37 -40.86 73.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.198 0.523 . . . . 0.0 109.955 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.515 ' OG1' HD21 ' B' ' 78' ' ' LEU . 90.2 m -59.95 -44.62 94.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.179 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -59.63 -42.44 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.89 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.524 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -54.09 -47.23 71.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.169 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' B' ' 38' ' ' ILE . 61.0 mt -60.82 -44.58 96.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.86 -33.76 76.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.736 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 7.3 ptpp? -85.8 -38.86 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.436 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 48.1 m-85 -119.9 -43.91 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.608 ' O ' HD13 ' B' ' 34' ' ' ILE . 49.5 t-20 64.66 45.02 3.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.959 0.409 . . . . 0.0 110.174 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.608 HD13 ' O ' ' B' ' 33' ' ' ASN . 44.8 mm -147.1 116.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.624 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.8 OUTLIER -42.98 -41.11 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.099 -179.504 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -62.09 -56.41 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.383 . . . . 0.0 111.337 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -60.68 -40.92 93.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.001 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.827 HD11 ' CD2' ' B' ' 29' ' ' LEU . 90.2 mt -48.18 -59.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.935 0.398 . . . . 0.0 111.574 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.695 ' HB1' ' HB2' ' B' ' 56' ' ' CYS . . . -65.06 -23.07 67.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.15 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -66.51 -63.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.531 ' HA ' ' HD3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -67.43 -42.62 82.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.747 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.748 HD11 ' HA ' ' B' ' 25' ' ' ALA . 82.9 mt -59.73 -47.32 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.653 0.263 . . . . 0.0 111.503 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.458 ' HE2' ' CE1' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -62.57 -52.02 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.868 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' B' ' 41' ' ' HIS . 20.9 ptmt -58.44 -40.18 81.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -58.69 -52.49 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.605 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.577 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 47.8 m-85 -65.13 -45.58 84.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 0.0 110.788 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.449 ' OD2' ' HB3' ' B' ' 52' ' ' PRO . 9.6 t0 -51.04 -39.45 55.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -80.8 -42.85 21.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.0 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -75.09 -58.02 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.9 m-85 -85.85 -12.62 50.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 91.81 143.61 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.414 0 C-N-CA 122.838 0.455 . . . . 0.0 110.336 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.449 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 20.8 Cg_endo -60.99 168.49 7.26 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.44 2.093 . . . . 0.0 112.696 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.466 HG23 ' CE1' ' B' ' 55' ' ' HIS . 12.5 t -117.17 125.96 52.03 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 122.925 0.49 . . . . 0.0 110.961 0.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.792 ' CZ3' HD21 ' B' ' 85' ' ' LEU . 25.7 m95 -97.83 148.83 23.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.013 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.466 ' CE1' HG23 ' B' ' 53' ' ' THR . 11.7 m-70 -134.0 138.51 45.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.171 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.814 ' C ' HD12 ' B' ' 57' ' ' ILE . 83.3 m -143.87 144.46 31.76 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.814 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.3 mp -132.33 144.32 37.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.47 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' B' ' 35' ' ' GLU . 49.0 t -154.19 136.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.907 0.384 . . . . 0.0 111.645 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.09 -138.07 4.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.418 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 85.8 mtm180 -159.42 27.53 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.326 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 10.1 t-20 175.73 77.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.451 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 62' ' ' PHE . 11.4 p90 -156.36 138.98 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.455 0.645 . . . . 0.0 112.213 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -120.38 136.23 11.4 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.628 ' HB3' HG23 ' A' ' 57' ' ' ILE . 79.6 p -156.6 156.65 33.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.1 t80 -125.53 133.21 52.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 113.8 -1.545 . . . . 0.0 107.778 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.546 ' HB ' HG22 ' D' ' 4' ' ' THR . 14.0 t -153.24 163.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.723 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.493 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.4 m -115.94 154.3 30.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.4 p80 -164.77 143.13 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.036 0.446 . . . . 0.0 111.685 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -54.5 141.94 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.945 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -53.75 151.41 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.341 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 62.85 39.46 10.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -159.3 69.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.588 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.623 ' HE1' HD11 ' B' ' 84' ' ' LEU . 29.3 t80 -163.82 143.75 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.072 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.41 ' O ' HD12 ' B' ' 84' ' ' LEU . 10.5 tt -163.87 142.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.632 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -141.62 135.55 30.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.434 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.631 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.0 p90 -168.64 143.05 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.068 0.461 . . . . 0.0 111.765 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 4.5 m-85 -82.82 152.11 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.351 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.705 HD13 ' HB2' ' B' ' 6' ' ' ALA . 39.4 tp -170.12 140.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.953 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.01 38.43 60.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 58.42 39.16 25.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 0.0 111.197 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 78' ' ' LEU . 31.6 m -156.4 133.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.944 0.402 . . . . 0.0 111.081 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.505 ' CB ' HG21 ' D' ' 8' ' ' VAL . . . -69.97 134.23 48.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.2 mt -120.37 142.18 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.623 HD11 ' HE1' ' B' ' 73' ' ' PHE . 58.0 tp -138.67 142.62 39.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.792 HD21 ' CZ3' ' B' ' 54' ' ' TRP . 6.4 tt -158.27 145.2 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.545 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 9.3 p90 179.89 136.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.8 ptmt -101.95 170.23 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 42.3 t -147.87 132.22 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.777 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.48 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.494 ' H2 ' HG23 ' A' ' 70' ' ' THR . 81.8 mtp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.494 ' HB3' ' NZ ' ' C' ' 2' ' ' LYS . 8.5 mtpm? -155.54 130.81 9.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.495 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.1 p30 -81.89 123.09 28.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.149 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.47 HG22 ' HB ' ' A' ' 66' ' ' VAL . 10.9 t -88.75 144.1 26.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.927 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.12 135.56 7.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.635 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -151.21 170.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.45 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.553 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.1 pt20 -162.62 69.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.817 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.5 ' HB2' ' CE1' ' B' ' 65' ' ' TYR . 11.9 p-10 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.873 0.368 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.546 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.9 t -85.39 146.68 26.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.651 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -148.85 128.41 2.78 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.372 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.808 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.2 pp -161.47 145.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.423 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.617 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 23.0 pt20 -137.56 85.39 2.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.985 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' B' ' 82' ' ' ALA . 55.2 t -69.87 141.24 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 0.0 110.853 -179.633 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.122 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 26.4 m -100.21 136.26 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 121.029 0.442 . . . . 0.0 111.307 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -97.76 142.85 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.85 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 14.8 ptmm? -148.03 23.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.819 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.561 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 47.0 m-80 -171.47 44.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -63.7 136.91 57.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -158.71 54.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.1 ttp -172.57 164.56 5.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.396 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' A' ' 17' ' ' MET . 64.4 m -42.01 137.74 1.75 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.422 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.06 -48.63 61.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.745 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.52 -42.86 99.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' HB2' ' A' ' 14' ' ' SER . 89.4 mtp -62.83 -48.19 80.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.183 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.813 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.8 pt20 -65.58 -37.73 87.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.857 0.36 . . . . 0.0 110.533 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -64.97 -40.45 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.54 -37.73 83.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -67.11 -42.61 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.878 0.37 . . . . 0.0 110.095 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 18' ' ' GLN . 47.3 t -65.23 -48.08 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.427 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.82 -41.27 87.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.87 -31.86 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.81 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.95 -41.25 74.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.218 0.532 . . . . 0.0 109.956 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.0 m -60.0 -44.5 94.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.301 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.59 -41.01 93.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.045 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.55 -46.23 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.316 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.829 ' CD2' HD11 ' A' ' 38' ' ' ILE . 61.7 mt -62.18 -46.12 90.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.522 . . . . 0.0 111.064 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.15 -33.87 76.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.651 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HE3' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -86.42 -38.17 17.62 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.115 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HE3' ' A' ' 31' ' ' LYS . 40.0 m-85 -119.54 -47.23 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 65.08 46.81 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.911 0.386 . . . . 0.0 110.418 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.6 mt -149.55 134.6 10.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.8 mt-10 -44.93 -59.84 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.936 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' D' ' 7' ' ' GLN . 35.7 ttpt -55.09 -57.49 11.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.225 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.455 ' OD2' HD12 ' A' ' 34' ' ' ILE . 57.4 m-20 -51.23 -44.52 61.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.829 HD11 ' CD2' ' A' ' 29' ' ' LEU . 87.0 mt -51.35 -57.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.04 0.447 . . . . 0.0 111.1 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -67.7 -21.33 65.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.03 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' B' ' 65' ' ' TYR . . . -67.6 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.52 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -69.91 -41.73 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.511 -178.681 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 25' ' ' ALA . 76.6 mt -61.22 -47.88 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.509 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' B' ' 65' ' ' TYR . 35.2 ttpt -61.21 -52.72 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.714 0.292 . . . . 0.0 110.873 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.12 -42.84 81.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.536 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.28 -49.34 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.259 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.505 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.2 m-85 -65.25 -42.98 92.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.695 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 63.4 m-20 -56.4 -36.18 68.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 0.0 111.348 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -82.7 -39.87 21.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.85 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -59.27 2.85 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.538 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 5.6 m-85 -87.52 -17.67 31.54 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 31.8 m-20 96.63 144.54 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 122.952 0.501 . . . . 0.0 110.331 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 27.4 Cg_exo -62.46 167.13 11.88 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.481 2.121 . . . . 0.0 112.968 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.421 HG23 ' CE1' ' A' ' 55' ' ' HIS . 14.8 t -116.25 126.46 53.61 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 0.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.9 m95 -99.81 134.78 42.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.332 0.587 . . . . 0.0 111.997 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 19.7 m-70 -112.16 133.6 54.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.98 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.823 ' C ' HD12 ' A' ' 57' ' ' ILE . 50.0 t -136.48 141.8 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 0.0 112.233 -178.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.5 mp -134.68 149.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.126 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.437 HG11 HD12 ' A' ' 38' ' ' ILE . 48.6 t -155.47 134.98 3.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.061 0.457 . . . . 0.0 111.413 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' HA2' ' OE1' ' A' ' 35' ' ' GLU . . . 173.16 -136.18 3.59 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.216 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.0 ptt85 -179.34 40.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.417 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 41.7 t30 169.11 74.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.233 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CZ ' HG21 ' C' ' 8' ' ' VAL . 32.4 p90 -171.54 136.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.994 0.426 . . . . 0.0 111.903 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.75 126.71 7.69 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.1 m -114.02 144.32 43.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 8.3 t80 -151.57 122.46 7.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.586 HG12 ' N ' ' A' ' 67' ' ' THR . 46.8 t -157.0 165.04 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.586 ' N ' HG12 ' A' ' 66' ' ' VAL . 87.2 m -112.45 149.36 32.7 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' C' ' 2' ' ' LYS . 26.4 p80 -161.51 146.84 13.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.264 0.554 . . . . 0.0 112.307 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -59.38 141.77 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.98 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.0 p -55.1 151.96 8.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.444 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.669 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.76 39.1 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.28 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 92.2 m-70 -160.62 62.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.81 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.71 ' HE1' HD11 ' A' ' 84' ' ' LEU . 34.3 t80 -157.23 140.95 15.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.298 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.75 HD12 ' HB2' ' A' ' 18' ' ' GLN . 9.2 tt -164.44 139.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.595 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.642 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 53.4 t80 -136.13 136.55 40.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.604 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.2 p90 -165.27 139.85 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 111.785 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.6 m-85 -75.28 148.68 39.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.77 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' A' ' 6' ' ' ALA . 33.5 tp -170.43 139.68 1.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.902 0.382 . . . . 0.0 111.531 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.432 ' HA3' HD13 ' A' ' 29' ' ' LEU . . . 55.99 42.74 87.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.508 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER 54.11 35.21 21.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 110.686 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 78' ' ' LEU . 26.7 m -158.28 134.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.605 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.642 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.78 131.59 44.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.397 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.455 HD12 ' HB3' ' A' ' 78' ' ' LEU . 54.8 mt -116.44 134.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.484 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.71 HD11 ' HE1' ' A' ' 73' ' ' PHE . 54.7 tp -129.13 143.42 50.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.4 tp -153.65 144.44 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.527 ' CE1' HG11 ' A' ' 66' ' ' VAL . 10.5 p90 178.61 133.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 13.5 ptmm? -98.35 170.34 8.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.063 0.458 . . . . 0.0 111.764 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.701 179.812 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.751 ' HB3' HG13 ' B' ' 22' ' ' VAL . . . . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 120.821 0.343 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.48 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 20.6 m -95.3 136.24 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.417 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.616 ' CG2' ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -80.63 132.04 32.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.75 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -109.44 -34.15 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.053 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -156.24 54.29 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.217 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.616 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -57.01 143.12 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -175.16 62.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.723 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.786 ' O ' ' HB2' ' B' ' 17' ' ' MET . 52.8 ttp -171.2 56.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.544 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 38.3 t 61.26 135.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 111.461 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 56.1 mt-10 -56.7 -51.34 69.19 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.897 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 0.0 110.951 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.786 ' HB2' ' O ' ' B' ' 13' ' ' MET . 87.8 mtp -65.0 -50.63 65.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.702 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.0 pt20 -64.58 -37.08 86.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.545 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.38 -39.97 92.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.802 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.401 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.2 t70 -64.64 -39.61 94.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -65.39 -41.67 93.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.751 HG13 ' HB3' ' B' ' 6' ' ' ALA . 64.6 t -64.39 -47.12 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.28 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.77 -47.22 81.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' CYS . . . . . 0.435 ' O ' HD11 ' B' ' 42' ' ' ILE . 86.8 m -62.22 -28.37 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.09 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -71.77 -42.43 67.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 109.941 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -59.88 -46.64 88.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.88 -46.75 88.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.775 ' CB ' HG23 ' B' ' 38' ' ' ILE . . . -54.24 -34.71 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.201 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.879 HD23 HD11 ' B' ' 38' ' ' ILE . 61.0 mt -68.31 -52.95 27.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.518 ' HG3' ' CD ' ' B' ' 31' ' ' LYS . 12.3 pt-20 -70.64 -26.28 63.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.728 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.518 ' CD ' ' HG3' ' B' ' 30' ' ' GLU . 0.4 OUTLIER -85.16 -37.67 19.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.767 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' B' ' 32' ' ' TYR . 2.5 m-85 -121.11 -47.23 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 111.669 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.498 ' O ' ' ND2' ' B' ' 33' ' ' ASN . 0.3 OUTLIER 65.57 45.88 2.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.205 -179.495 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.564 HD12 ' OD2' ' B' ' 37' ' ' ASP . 57.0 mt -152.29 122.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.503 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 58' ' ' VAL . 22.0 pt-20 -47.11 -48.25 23.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.127 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.52 -56.66 15.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.169 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.564 ' OD2' HD12 ' B' ' 34' ' ' ILE . 57.3 m-20 -57.06 -47.72 80.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.879 HD11 HD23 ' B' ' 29' ' ' LEU . 89.0 mt -47.85 -52.81 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.931 0.396 . . . . 0.0 111.721 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.75 -25.09 68.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.97 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -70.11 -58.88 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.556 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -65.59 -46.52 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.504 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' B' ' 25' ' ' ALA . 66.8 mt -61.67 -42.58 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.324 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.525 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 81.7 tttt -59.86 -51.85 67.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -56.68 -44.54 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.04 -46.57 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.474 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.3 m-85 -66.68 -40.78 88.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.543 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.421 ' OD2' ' HG2' ' B' ' 43' ' ' LYS . 57.8 m-20 -57.27 -43.53 83.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 0.0 110.867 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.8 77.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.514 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -79.44 -70.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' B' ' 51' ' ' ASN . 7.3 m-30 -73.84 -14.39 61.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.579 ' HB3' ' O ' ' B' ' 50' ' ' TYR . 23.8 t-20 93.11 140.31 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 122.78 0.432 . . . . 0.0 110.752 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.98 169.28 12.14 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.437 2.091 . . . . 0.0 112.631 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 11.9 t -116.55 127.52 54.59 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 122.931 0.492 . . . . 0.0 110.771 0.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.595 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 27.0 m95 -94.75 126.41 40.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 112.356 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.522 ' O ' HD12 ' B' ' 85' ' ' LEU . 13.0 m80 -98.83 141.65 31.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.024 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.2 t -148.29 148.6 30.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 112.806 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 58.4 mt -151.39 142.62 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.395 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 45.0 t -150.01 142.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.071 0.463 . . . . 0.0 111.607 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.91 -127.63 1.28 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -174.82 38.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.771 -0.253 . . . . 0.0 111.388 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 39.7 t30 164.35 82.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.847 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.518 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 15.2 p90 -164.66 133.89 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.243 0.544 . . . . 0.0 111.913 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -109.35 136.33 13.49 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.539 ' HB3' HG23 ' A' ' 57' ' ' ILE . 80.5 p -161.76 159.44 27.14 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.881 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 25.7 m-85 -126.97 142.04 51.65 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 114.046 -1.433 . . . . 0.0 109.443 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' B' ' 86' ' ' PHE . 24.9 t -155.56 166.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.561 ' N ' HG12 ' B' ' 66' ' ' VAL . 90.4 m -112.97 152.4 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.6 p80 -161.44 140.31 9.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.139 0.495 . . . . 0.0 111.661 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.408 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 17.7 tp10 -56.43 160.45 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.292 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.0 p -55.47 141.91 34.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.907 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.519 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 60.81 21.97 12.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.623 179.47 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 52.1 m170 -124.65 69.79 1.11 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.713 0.292 . . . . 0.0 110.38 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.572 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 19.7 t80 -159.88 138.08 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' B' ' 18' ' ' GLN . 8.6 tt -160.59 141.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.179 0.514 . . . . 0.0 111.706 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.62 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 4.4 t80 -145.63 136.96 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.313 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.632 ' HE1' HD12 ' B' ' 83' ' ' ILE . 7.9 p90 -163.93 140.59 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.053 0.454 . . . . 0.0 111.879 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 14.2 m-85 -81.11 144.52 31.63 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.736 HD22 ' HB2' ' B' ' 6' ' ' ALA . 43.8 tp -170.4 142.09 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 111.598 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.0 40.89 75.3 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.573 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.424 ' O ' HG13 ' B' ' 81' ' ' VAL . 73.3 mt-30 54.63 37.47 28.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 78' ' ' LEU . 28.5 m -157.88 132.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.62 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -72.13 135.06 46.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.189 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.632 HD12 ' HE1' ' B' ' 76' ' ' PHE . 55.4 mt -118.77 141.3 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' B' ' 86' ' ' PHE . 63.0 tp -136.26 140.39 43.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 55' ' ' HIS . 62.5 tp -154.44 145.5 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' B' ' 66' ' ' VAL . 13.0 p90 178.48 130.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.595 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.4 ptmm? -93.06 170.41 9.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.481 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -151.55 133.69 15.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.555 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.545 ' HE2' ' HA ' ' C' ' 1' ' ' MET . 10.2 mmt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.684 0.278 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 47.0 mmtm -79.39 135.05 36.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.091 0.472 . . . . 0.0 111.266 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.557 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 22.5 m-20 -102.44 113.06 26.08 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.628 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' VAL . 42.5 m -73.18 144.44 46.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.154 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.613 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -157.82 123.96 1.34 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.083 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.93 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.7 pp -162.24 142.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.102 0.477 . . . . 0.0 111.721 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 22.2 pt20 -97.41 94.64 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.317 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.74 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 47.7 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.547 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 2.1 p30 . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 121.071 0.462 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.539 HG21 ' CE2' ' B' ' 86' ' ' PHE . 15.3 t -83.97 146.84 27.79 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.628 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -149.79 131.16 3.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.228 -0.987 . . . . 0.0 112.369 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.818 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -160.28 138.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.09 0.471 . . . . 0.0 111.937 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.515 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 11.2 pt20 -117.02 76.73 1.06 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.534 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.407 ' CG2' ' OH ' ' B' ' 75' ' ' TYR . 43.7 t -69.46 138.42 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 35.0 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.727 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.565 0.222 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.512 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 34.0 m -70.6 140.74 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.693 0.283 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 76' ' ' PHE . 20.4 mt -125.67 137.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.077 0.465 . . . . 0.0 112.142 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -113.17 -52.49 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.909 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -101.64 143.99 30.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.129 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.75 51.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.305 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.42 57.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.981 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 53.5 ttp -165.68 160.96 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.237 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -44.38 141.74 1.79 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.607 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 16.4 pt-20 -53.89 -47.28 71.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.861 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 12.5 pt-20 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.247 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 64.7 mtt -61.96 -48.42 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.748 ' CB ' HD12 ' A' ' 74' ' ' ILE . 13.8 pt20 -63.75 -39.59 94.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 97.1 mm-40 -66.7 -39.55 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.678 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -63.57 -35.61 81.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.683 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.475 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.9 m -67.64 -44.28 78.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.902 0.382 . . . . 0.0 110.178 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG21 HD11 ' A' ' 8' ' ' ILE . 95.7 t -62.66 -46.89 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.655 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.24 -44.18 76.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.201 0.524 . . . . 0.0 110.118 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.6 t -65.71 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.729 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.672 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.75 -38.12 76.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 109.819 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.2 m -60.59 -48.44 81.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.314 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 84.9 mt-30 -58.7 -40.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.91 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.39 -44.91 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.185 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 38' ' ' ILE . 65.6 mt -61.3 -49.57 76.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 pt-20 -68.74 -30.13 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -83.24 -34.11 25.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.884 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -128.28 -45.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.741 -0.384 . . . . 0.0 112.009 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 66.51 45.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.59 HD12 ' OD2' ' A' ' 37' ' ' ASP . 57.3 mt -151.25 124.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 11.7 pm0 -45.73 -44.26 13.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.717 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.452 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 16.7 ttpp -66.78 -53.31 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.0 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.59 ' OD2' HD12 ' A' ' 34' ' ' ILE . 29.1 m-20 -56.0 -45.22 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.383 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 29' ' ' LEU . 89.8 mt -51.87 -52.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -65.38 -28.88 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.173 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -61.21 -48.95 79.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.255 -178.807 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 25' ' ' ALA . 65.0 mt -58.66 -39.41 76.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 3.3 tppp? -58.14 -52.44 65.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.32 -41.21 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.456 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.0 mm-40 -56.34 -50.37 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 111.164 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.446 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.3 m-85 -69.19 -46.41 67.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 52' ' ' PRO . 28.9 m-20 -55.31 -40.76 71.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 111.252 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -75.42 -42.7 52.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.172 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.0 mtpt -78.48 -70.27 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.555 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 6.9 m-30 -74.0 -14.36 61.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 33.1 m-20 90.92 143.98 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 123.329 0.393 . . . . 0.0 110.364 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 38.0 Cg_endo -66.12 171.86 9.54 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.416 2.077 . . . . 0.0 112.798 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 12.3 t -115.46 123.09 47.71 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 122.649 0.379 . . . . 0.0 110.959 0.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.632 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.9 m95 -93.51 137.67 32.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.054 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 27.1 m-70 -111.38 134.55 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.67 ' O ' HD13 ' A' ' 57' ' ' ILE . 46.5 t -134.47 147.27 50.35 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 56' ' ' CYS . 40.7 mm -147.06 138.1 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.294 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' ALA . 43.9 t -152.5 135.44 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.713 0.292 . . . . 0.0 111.228 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.608 ' O ' HG23 ' A' ' 81' ' ' VAL . . . 177.57 -140.66 4.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.753 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 58.9 mtt85 -159.33 36.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 11.1 t-20 165.94 82.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.846 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.473 ' HB3' ' CD2' ' B' ' 62' ' ' PHE . 2.3 p90 -160.43 138.69 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.411 0.624 . . . . 0.0 112.601 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.583 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -120.78 133.76 9.89 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.775 ' HB2' HD13 ' B' ' 57' ' ' ILE . 79.6 p -159.28 167.01 30.02 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.724 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 17.1 m-85 -134.66 144.01 47.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.604 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 6.2 t -156.27 161.84 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.939 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.486 HG23 ' O ' ' C' ' 1' ' ' MET . 92.1 m -117.84 145.57 44.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 28.6 p80 -164.64 147.82 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.144 0.497 . . . . 0.0 112.083 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -58.16 141.93 48.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.023 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.0 p -56.15 154.15 8.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.414 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER 61.7 40.88 12.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.486 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.432 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 91.2 m-70 -159.51 48.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.934 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 8.2 t80 -157.88 146.88 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.448 . . . . 0.0 111.505 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.748 HD12 ' CB ' ' A' ' 18' ' ' GLN . 7.4 tt -161.48 145.25 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.672 ' CD2' HD13 ' A' ' 84' ' ' LEU . 2.2 t80 -138.9 134.92 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' A' ' 83' ' ' ILE . 9.3 p90 -165.44 142.16 5.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.512 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 4.2 m-85 -94.56 145.69 24.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.65 178.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.727 HD13 ' HB2' ' A' ' 6' ' ' ALA . 31.1 tp -151.53 139.02 19.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.035 0.445 . . . . 0.0 111.841 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.551 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 66.35 -64.57 0.16 Allowed Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.267 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' LEU . 17.3 pt20 178.63 37.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.771 0.32 . . . . 0.0 110.261 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -158.05 144.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -80.52 135.2 36.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.594 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.526 HD12 ' HE1' ' A' ' 76' ' ' PHE . 57.0 mt -125.01 143.24 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 75' ' ' TYR . 56.9 tp -137.17 140.0 41.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.933 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.475 HD23 ' OG ' ' A' ' 21' ' ' SER . 55.0 tp -157.44 136.57 11.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.49 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.532 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.4 p90 -172.88 127.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.632 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 22.1 ptmt -92.72 167.41 11.9 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.1 0.476 . . . . 0.0 111.644 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.641 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.776 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.695 0.283 . . . . 0.0 111.615 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 29.8 m -101.62 137.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.732 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.628 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -82.94 144.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -128.76 -35.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.825 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -147.49 49.49 1.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 111.733 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -61.66 136.02 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.559 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -158.47 62.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 0.0 111.443 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.472 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 21.9 ptm -170.89 -174.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.1 m -55.65 136.84 50.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 55.8 mt-10 -54.98 -44.97 74.94 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.359 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.518 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -61.57 -41.74 97.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.257 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.472 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 66.3 mtt -65.7 -46.3 79.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.269 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.839 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.9 pt20 -66.46 -38.25 86.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.5 pt20 -72.42 -37.7 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.468 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.6 -37.77 77.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' SER . . . . . 0.432 ' OG ' HD23 ' B' ' 85' ' ' LEU . 47.8 t -67.53 -43.64 80.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.051 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 18' ' ' GLN . 67.7 t -64.32 -47.17 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.11 -42.35 84.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.046 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -64.41 -33.95 77.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.652 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.713 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.47 -39.05 77.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 109.905 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.505 ' OG1' HD21 ' B' ' 78' ' ' LEU . 86.9 m -60.3 -45.06 94.68 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.173 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.42 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 84.1 mt-30 -60.37 -42.82 96.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.117 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.68 -42.53 75.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.194 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.782 ' CD2' HD11 ' B' ' 38' ' ' ILE . 50.2 mt -63.59 -48.64 76.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.573 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 11.9 pt-20 -68.64 -29.23 67.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.4 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -86.69 -36.41 18.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -113.8 -43.14 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 66.13 38.06 4.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 110.39 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.9 mt -153.75 123.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.555 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.71 ' HA ' HD12 ' B' ' 38' ' ' ILE . 15.2 pt-20 -47.19 -43.71 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.909 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -54.63 -57.44 11.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.911 0.386 . . . . 0.0 111.787 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.11 -40.2 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.057 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.782 HD11 ' CD2' ' B' ' 29' ' ' LEU . 81.2 mt -50.05 -59.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.778 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' ' 43' ' ' LYS . . . -65.66 -27.56 68.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.724 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -66.85 -63.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.53 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.62 -45.67 85.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.468 -178.709 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' B' ' 25' ' ' ALA . 83.0 mt -59.54 -41.6 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.783 0.325 . . . . 0.0 111.26 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.49 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 5.2 ttpm? -60.41 -54.88 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.338 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.1 pttp -59.31 -39.54 83.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.293 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -56.09 -50.39 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.426 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.476 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 35.0 m-85 -64.57 -44.33 91.05 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.3 m-20 -61.08 -36.67 80.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 111.177 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 4.4 tmtt? -71.61 -43.89 65.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.012 0.435 . . . . 0.0 111.397 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.23 -59.35 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.5 m-85 -80.8 -21.49 40.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.665 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 61.2 m-20 92.7 140.91 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.39 0 C-N-CA 122.593 0.357 . . . . 0.0 110.181 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.85 167.82 1.4 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.419 2.079 . . . . 0.0 112.852 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.724 HG22 ' O ' ' B' ' 88' ' ' SER . 11.8 t -117.34 121.23 40.55 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 122.607 0.363 . . . . 0.0 111.236 0.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.672 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.4 m95 -98.38 134.32 41.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.239 0.542 . . . . 0.0 112.186 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.482 ' O ' HD12 ' B' ' 85' ' ' LEU . 21.6 m-70 -112.88 139.53 48.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.135 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 64' ' ' SER . 52.6 t -140.9 140.08 34.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 0.0 112.273 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 64' ' ' SER . 38.2 mm -131.83 144.05 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.93 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 49.1 t -155.96 140.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 121.015 0.436 . . . . 0.0 111.75 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.76 -143.57 7.4 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.608 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.532 ' HD3' HG12 ' B' ' 81' ' ' VAL . 84.8 mtm180 -161.04 31.16 0.14 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 38.5 t30 168.16 81.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.202 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.4 p90 -169.09 148.08 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 112.302 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.47 133.33 11.38 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 59.4 m -122.94 146.85 47.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.439 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 9.7 t80 -150.24 125.74 10.22 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.927 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' B' ' 86' ' ' PHE . 47.8 t -157.85 163.69 1.22 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.352 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.565 ' N ' HG12 ' B' ' 66' ' ' VAL . 86.3 m -112.57 151.9 29.5 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.423 ' CD2' ' OG1' ' D' ' 4' ' ' THR . 27.3 p80 -165.49 138.98 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.065 0.459 . . . . 0.0 111.624 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.47 158.01 27.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.602 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.8 p -56.44 151.99 12.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 111.76 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 63.97 37.37 9.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.229 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.503 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 35.1 m80 -163.06 69.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.097 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.653 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 13.3 t80 -165.18 131.91 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.576 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.668 ' O ' HD12 ' B' ' 84' ' ' LEU . 12.3 tt -156.38 140.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.229 0.538 . . . . 0.0 111.913 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.492 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 54.0 t80 -142.54 139.72 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.468 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.674 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.6 p90 -168.9 143.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.148 0.499 . . . . 0.0 111.885 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -81.76 148.42 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.295 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.776 HD13 ' HB2' ' B' ' 6' ' ' ALA . 27.5 tp -167.06 139.11 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.194 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.459 ' HA3' HD13 ' B' ' 29' ' ' LEU . . . 55.2 39.51 71.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 57.81 36.07 26.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.789 0.328 . . . . 0.0 111.074 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.631 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.9 m -153.04 133.78 4.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.003 0.43 . . . . 0.0 110.867 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.492 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.88 135.82 49.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' B' ' 78' ' ' LEU . 58.0 mt -127.22 138.76 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.668 HD12 ' O ' ' B' ' 74' ' ' ILE . 61.2 tp -134.52 141.9 46.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.438 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.528 ' O ' HG22 ' B' ' 74' ' ' ILE . 57.0 tp -156.76 144.49 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.391 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.653 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 8.1 p90 176.67 136.36 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.701 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.672 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.7 ptmm? -91.59 170.22 10.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.153 0.502 . . . . 0.0 111.562 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.724 ' O ' HG22 ' B' ' 53' ' ' THR . 44.8 t -142.19 128.72 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.805 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.481 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 67' ' ' THR . 68.2 mtm . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.88 0.371 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.06 130.89 44.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -78.75 109.48 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.307 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.54 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.7 t -71.23 145.71 49.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.238 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.65 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -146.91 123.16 1.72 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.966 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.832 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.4 pp -162.18 148.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 111.805 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.583 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -147.17 145.72 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.077 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 50.5 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.504 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.557 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.3 t0 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 111.655 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.483 ' N ' ' O ' ' B' ' 66' ' ' VAL . 31.9 m -71.22 144.4 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.221 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.529 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -155.24 127.93 2.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.444 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.893 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -160.3 142.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -117.4 139.21 51.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -137.57 146.44 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.025 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.805 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.707 0.289 . . . . 0.0 111.477 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.0 m -87.78 139.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.528 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.653 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -96.85 125.69 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.18 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -92.22 -38.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.697 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -168.59 135.88 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.224 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -155.95 136.18 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 111.887 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' PHE . 55.6 m-20 -122.54 54.36 1.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.989 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.437 ' HE2' ' CA ' ' A' ' 72' ' ' HIS . 43.7 ttm -138.1 153.84 49.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.904 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.3 m -45.15 141.14 2.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 95.1 mt-10 -53.42 -46.96 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.804 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.49 -43.98 96.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.431 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 61.2 mtt -60.02 -50.05 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.396 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.865 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.5 pt20 -59.44 -36.66 76.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.252 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.5 mm100 -62.73 -42.84 99.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.118 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.21 -36.05 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.546 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -67.32 -41.43 85.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.3 t -62.85 -50.69 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.263 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.38 -44.74 90.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.804 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.04 -32.05 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.741 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.35 -40.52 77.46 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.833 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -57.79 -44.65 86.43 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.909 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.45 -40.52 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.579 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.911 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -51.96 -48.44 64.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.58 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 61.2 mt -59.07 -52.22 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.286 0.565 . . . . 0.0 110.665 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.58 -30.46 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.145 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 98.4 mttt -81.16 -38.52 27.0 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 7.3 m-85 -139.11 -56.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.58 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 43.2 t30 63.89 50.66 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.528 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 34' ' ' ILE . 46.4 mt -136.09 30.34 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 59.17 -70.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.007 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' ILE . 18.3 ttpp -58.74 -53.91 53.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.123 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -52.71 -40.79 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.911 HG23 ' CB ' ' A' ' 28' ' ' ALA . 62.6 mt -54.68 -50.44 59.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -66.71 -30.27 70.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.929 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -63.44 -55.55 23.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.49 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.76 -45.15 68.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.854 0.359 . . . . 0.0 111.826 -178.76 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 ' HA ' ' A' ' 25' ' ' ALA . 68.8 mt -63.21 -47.26 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.776 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -61.97 -52.69 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.313 -179.01 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -57.69 -34.85 69.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.598 -179.172 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 44.6 tt0 -63.78 -52.16 61.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.555 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.568 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 48.9 m-85 -65.87 -44.45 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 13.3 t70 -52.2 -44.84 64.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -79.46 -44.2 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.134 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -72.14 -65.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.6 m-85 -79.76 -11.18 59.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.253 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.15 145.08 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.787 0.435 . . . . 0.0 110.431 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.487 ' HB3' ' OD1' ' A' ' 47' ' ' ASP . 39.9 Cg_endo -66.39 168.26 16.66 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.498 2.132 . . . . 0.0 113.043 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.517 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.6 t -115.71 125.4 52.76 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 122.634 0.374 . . . . 0.0 110.671 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.616 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.1 m95 -97.82 131.42 44.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.256 0.551 . . . . 0.0 112.089 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.512 ' CE1' HG23 ' A' ' 53' ' ' THR . 17.0 m-70 -111.07 137.53 48.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.312 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.527 ' HB2' HD13 ' A' ' 85' ' ' LEU . 51.1 t -141.32 150.16 42.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 112.274 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 62' ' ' PHE . 51.5 mt -149.12 147.62 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.837 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -153.92 137.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.151 0.5 . . . . 0.0 111.614 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.9 -137.45 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.921 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.634 ' HA ' HG11 ' C' ' 8' ' ' VAL . 0.0 OUTLIER -177.27 37.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.537 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 44.2 t30 169.28 70.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.308 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' CG ' ' HB3' ' B' ' 62' ' ' PHE . 20.8 p90 -168.28 133.96 1.85 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.19 141.64 30.4 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.405 ' OG ' ' CE2' ' A' ' 62' ' ' PHE . 59.6 m -136.2 143.78 44.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.668 0.734 . . . . 0.0 112.938 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 7.0 t80 -146.9 134.26 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.935 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 86' ' ' PHE . 30.1 t -155.72 166.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.725 0.298 . . . . 0.0 111.565 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 66' ' ' VAL . 99.7 m -130.05 140.58 50.83 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -153.52 154.2 33.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.962 0.411 . . . . 0.0 111.634 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 70' ' ' THR . 5.3 tp10 -57.29 -110.48 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 69' ' ' GLU . 60.1 p -163.46 159.24 21.95 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 112.056 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 6.9 mmpt? 66.55 39.76 3.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.449 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.509 ' HB2' ' HG2' ' A' ' 87' ' ' LYS . 3.5 p80 -175.56 51.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.052 0.453 . . . . 0.0 111.819 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.725 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.0 t80 -130.51 140.53 50.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.974 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.706 HD12 ' CB ' ' A' ' 18' ' ' GLN . 10.7 tt -163.2 131.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.391 0.615 . . . . 0.0 111.953 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.595 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 38.6 t80 -129.06 133.83 47.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.346 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 1.6 p90 -165.17 138.66 4.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.111 0.482 . . . . 0.0 112.261 -178.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.643 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 4.4 m-85 -85.79 156.03 20.77 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.621 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' A' ' 6' ' ' ALA . 54.9 tp -154.7 132.85 11.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.51 -64.79 0.17 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.954 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . 25.8 pt20 179.43 38.22 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.883 0.373 . . . . 0.0 110.122 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.6 m -156.91 131.81 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . . . -69.91 139.71 52.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -125.52 131.81 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.515 HD21 ' HE2' ' A' ' 86' ' ' PHE . 53.1 tp -126.12 140.32 52.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 56' ' ' CYS . 64.4 tp -158.64 141.87 14.86 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.881 0.372 . . . . 0.0 111.312 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.725 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 4.7 p90 176.78 139.97 0.07 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 64.0 pttt -95.64 170.29 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.102 0.477 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 53' ' ' THR . 43.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.728 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.99 ' HB2' HD22 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.695 0.283 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.6 m -93.26 136.02 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 111.586 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.614 ' CG2' ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -77.4 133.95 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.049 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' B' ' 9' ' ' LYS . 3.5 mmmp? -119.68 -29.94 4.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.055 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -150.85 50.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.596 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -60.6 143.93 52.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -170.97 53.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.412 ' CE ' ' HB3' ' B' ' 17' ' ' MET . 55.3 ttp -169.25 162.91 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.694 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -40.59 138.01 1.04 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 111.621 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -53.99 -43.66 70.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.671 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -62.41 -40.65 97.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.412 ' HB3' ' CE ' ' B' ' 13' ' ' MET . 65.5 mtt -65.13 -50.86 64.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.016 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.816 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.5 pt20 -66.47 -38.29 87.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.621 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.93 -38.86 79.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.595 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.01 -39.27 94.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -68.58 -41.11 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.888 0.375 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.869 HG22 ' CE2' ' B' ' 76' ' ' PHE . 48.0 t -64.63 -45.98 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.401 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -46.83 71.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.231 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 88.1 m -67.34 -28.73 68.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.16 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.914 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -72.46 -41.08 66.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.081 0.467 . . . . 0.0 109.988 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 86.7 m -61.88 -46.42 89.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.461 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 85.4 mt-30 -60.7 -40.61 92.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.076 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.662 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -55.87 -44.35 78.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.212 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.886 ' CD2' HD11 ' B' ' 38' ' ' ILE . 59.7 mt -64.36 -41.58 96.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -65.59 -36.93 85.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.628 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 61.0 pttt -89.76 -36.36 15.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HE3' ' B' ' 31' ' ' LYS . 44.7 m-85 -111.1 -45.25 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 62.57 45.36 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.298 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.519 ' O ' HG13 ' B' ' 38' ' ' ILE . 58.2 mt -148.77 123.72 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' B' ' 38' ' ' ILE . 13.1 pt-20 -46.74 -44.68 19.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.009 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.502 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.9 ttpm? -61.66 -57.33 12.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.936 0.398 . . . . 0.0 111.566 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.21 -43.59 64.31 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.239 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.886 HD11 ' CD2' ' B' ' 29' ' ' LEU . 82.4 mt -47.32 -58.23 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.091 0.472 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' B' ' 43' ' ' LYS . . . -66.86 -23.74 66.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.074 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -63.93 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.848 0.356 . . . . 0.0 111.883 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.662 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.7 OUTLIER -68.52 -45.72 71.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 -179.078 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.914 HD11 ' HA ' ' B' ' 25' ' ' ALA . 69.1 mt -56.75 -46.11 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.583 ' NZ ' ' HA ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -63.81 -49.65 72.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.86 -179.622 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.15 -45.09 83.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.637 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 97.3 mt-10 -59.04 -47.2 86.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' B' ' 42' ' ' ILE . 4.7 m-85 -65.17 -45.41 84.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.687 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.1 m-20 -60.0 -33.53 72.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 4.5 tmtt? -80.48 -42.7 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 97.4 mttt -78.53 -60.53 2.34 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.12 -17.99 38.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 93.28 144.03 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.42 0 C-N-CA 122.696 0.398 . . . . 0.0 110.065 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' B' ' 47' ' ' ASP . 34.1 Cg_exo -61.36 170.53 5.17 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.306 2.004 . . . . 0.0 112.626 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.59 HG22 ' HB3' ' B' ' 88' ' ' SER . 9.7 t -118.16 116.13 26.21 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 111.051 0.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.719 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -91.57 147.31 23.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.959 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' B' ' 85' ' ' LEU . 20.5 m-70 -125.2 137.03 54.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.738 ' O ' HD13 ' B' ' 57' ' ' ILE . 51.2 t -143.0 147.07 34.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.25 0.548 . . . . 0.0 112.074 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.738 HD13 ' O ' ' B' ' 56' ' ' CYS . 35.0 mm -143.75 144.77 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 61.1 t -150.68 132.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.101 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.88 -136.87 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.65 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 86.1 mtm180 -158.74 30.04 0.22 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.544 0.212 . . . . 0.0 111.546 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 164.87 83.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.589 ' HB3' ' CG ' ' A' ' 62' ' ' PHE . 3.5 p90 -155.63 133.28 11.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -96.99 147.72 18.77 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.41 ' HB3' HG23 ' A' ' 57' ' ' ILE . 81.5 p -159.04 150.43 20.4 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.15 0.975 . . . . 0.0 113.226 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.0 t80 -139.61 132.18 28.76 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.586 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.558 ' HB ' HG22 ' D' ' 4' ' ' THR . 35.4 t -155.69 165.94 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.43 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.556 ' N ' HG12 ' B' ' 66' ' ' VAL . 87.6 m -118.51 149.39 41.38 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 28.1 p80 -164.58 145.86 8.1 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.972 0.415 . . . . 0.0 111.956 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.411 ' HG3' ' ND1' ' B' ' 72' ' ' HIS . 16.1 pt-20 -62.12 150.58 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.775 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.5 p -56.27 150.7 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.5 mmpt? 66.97 36.53 4.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.43 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.9 m80 -157.4 69.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.659 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.682 ' HE1' HD11 ' B' ' 84' ' ' LEU . 27.8 t80 -165.55 134.8 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.445 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.863 HD11 ' HD2' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -157.35 141.4 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.128 0.489 . . . . 0.0 111.63 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.749 ' N ' HD13 ' B' ' 74' ' ' ILE . 4.1 t80 -147.72 146.64 29.32 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.863 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.869 ' CE2' HG22 ' B' ' 22' ' ' VAL . 3.6 p90 -167.02 146.04 5.21 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.109 0.48 . . . . 0.0 111.897 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -92.47 141.56 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.956 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.99 HD22 ' HB2' ' B' ' 6' ' ' ALA . 57.0 tp -168.44 145.68 3.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 111.688 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.14 39.41 70.3 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.487 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' B' ' 80' ' ' GLN . 0.4 OUTLIER 55.29 38.18 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.811 0.339 . . . . 0.0 110.758 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.5 m -156.93 132.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.737 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -73.2 141.57 47.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.235 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.613 HD12 ' HE1' ' B' ' 76' ' ' PHE . 57.0 mt -132.52 142.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.604 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.782 HD12 ' O ' ' B' ' 74' ' ' ILE . 65.1 tp -143.03 145.63 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.709 HD21 ' CE3' ' B' ' 54' ' ' TRP . 5.4 tt -159.48 141.08 13.09 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.394 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.538 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.9 p90 -178.61 131.67 0.13 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.719 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 17.8 ptpt -81.99 156.9 24.44 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.59 ' HB3' HG22 ' B' ' 53' ' ' THR . 26.2 t -71.43 -152.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.72 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.422 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.534 ' CB ' HG22 ' A' ' 67' ' ' THR . 66.6 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.825 0.345 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -82.39 129.91 34.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -83.47 123.2 29.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.381 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 66' ' ' VAL . 8.9 t -86.27 132.4 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.294 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.481 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -119.52 126.36 6.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.481 HG23 ' O ' ' C' ' 5' ' ' GLY . 46.8 pt -161.54 170.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.021 0.438 . . . . 0.0 111.276 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -158.79 119.35 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.526 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.634 HG11 ' HA ' ' A' ' 60' ' ' ARG . 22.2 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 11.0 p-10 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.558 HG22 ' HB ' ' B' ' 66' ' ' VAL . 11.1 t -79.81 142.33 35.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.32 132.37 5.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.686 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.523 HD13 HD22 ' B' ' 84' ' ' LEU . 50.6 pt -153.38 168.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.972 0.415 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.493 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 19.2 pt20 -162.66 69.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.883 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.3 138.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 29.5 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.534 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.772 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.464 0.258 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG22 ' HB2' ' A' ' 77' ' ' TYR . 21.7 m -100.67 138.54 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.066 0.46 . . . . 0.0 111.719 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.7 mp -99.31 147.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.497 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -141.22 -47.5 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.1 m120 -103.21 48.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 111.233 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -61.9 128.6 36.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.82 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.01 58.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.474 ' HG2' ' HB2' ' A' ' 17' ' ' MET . 54.3 ttp -178.24 158.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 57.8 m -38.39 140.43 0.31 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.876 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -51.86 -48.6 63.95 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.84 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.55 -42.74 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.945 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.474 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 65.4 mtt -60.88 -49.64 76.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.641 ' CB ' HD12 ' A' ' 74' ' ' ILE . 12.9 pt20 -62.81 -40.93 98.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.855 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.33 -40.05 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.079 0.466 . . . . 0.0 110.186 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.518 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 38.2 t70 -64.0 -38.6 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.739 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.529 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.1 m -64.43 -46.35 83.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.135 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 18' ' ' GLN . 77.4 t -59.63 -47.5 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.077 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -68.06 -44.66 75.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.97 0.415 . . . . 0.0 110.177 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.8 -33.4 75.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.918 ' HB2' HD11 ' A' ' 42' ' ' ILE . . . -70.3 -39.92 74.54 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.383 0.611 . . . . 0.0 109.742 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.5 m -59.74 -47.12 86.93 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.611 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.57 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 41.5 tt0 -57.94 -49.17 77.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.895 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -49.74 -41.19 43.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.797 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 38' ' ' ILE . 56.6 mt -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.598 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.96 -25.32 67.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.066 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.57 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 4.7 mptp? -78.32 -32.06 49.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.958 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 51.8 m-85 -144.72 -39.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.666 ' O ' HD13 ' A' ' 34' ' ' ILE . 73.4 m-80 73.35 48.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.455 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 33' ' ' ASN . 49.4 mm -143.06 129.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.63 -41.49 42.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.494 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' H ' HG22 ' A' ' 34' ' ' ILE . 35.8 ttpt -62.9 -56.12 20.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.003 0.43 . . . . 0.0 111.22 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -53.82 -43.62 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.17 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.922 HD11 HD21 ' A' ' 29' ' ' LEU . 78.1 mt -47.29 -44.75 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 111.044 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.822 ' HB1' ' HB2' ' A' ' 56' ' ' CYS . . . -60.97 -38.18 85.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.069 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.36 82.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.661 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CD2' ' CB ' ' A' ' 28' ' ' ALA . 73.5 m-70 -60.29 -57.18 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.999 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.918 HD11 ' HB2' ' A' ' 25' ' ' ALA . 68.5 mt -61.99 -35.9 70.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.221 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 11.3 tmtt? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 45' ' ' GLU . 65.0 pttt -63.28 -46.99 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.7 tp10 -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 111.419 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 4.9 m-85 -78.37 -42.59 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -60.26 -34.22 73.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.024 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.72 -41.03 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.983 0.421 . . . . 0.0 111.172 -179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -80.7 -58.11 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.9 m-85 -88.36 -14.12 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 65.7 m-20 94.86 143.69 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 C-N-CA 122.859 0.464 . . . . 0.0 110.544 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 43.7 Cg_endo -67.64 169.22 16.37 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.639 2.226 . . . . 0.0 113.046 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' THR . 13.0 t -116.77 123.0 46.08 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.715 0.406 . . . . 0.0 110.972 0.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.685 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.7 m95 -92.8 127.79 38.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 111.723 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.671 ' CD2' HG13 ' B' ' 66' ' ' VAL . 17.3 m80 -93.9 131.69 39.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.517 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.822 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 79.3 m -122.83 141.19 52.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.216 0.531 . . . . 0.0 112.073 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 56' ' ' CYS . 39.6 mm -147.18 137.51 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.501 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.411 HG11 HD12 ' A' ' 38' ' ' ILE . 45.9 t -152.59 135.43 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.838 0.351 . . . . 0.0 111.232 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.33 -131.54 1.83 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.252 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 24.1 ptt-85 -175.53 38.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER 167.68 80.7 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 14.3 p90 -162.06 135.84 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.549 0.69 . . . . 0.0 112.416 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -110.07 139.83 15.57 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.681 ' HB3' HG23 ' B' ' 57' ' ' ILE . 71.0 p -158.07 151.32 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.215 1.008 . . . . 0.0 113.603 -178.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CD2' ' HD3' ' B' ' 43' ' ' LYS . 35.4 t80 -126.56 131.45 51.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.057 178.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 67' ' ' THR . 21.9 t -153.57 168.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.588 ' N ' HG12 ' A' ' 66' ' ' VAL . 77.7 m -119.35 144.88 46.62 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -159.21 150.67 20.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.268 0.556 . . . . 0.0 112.198 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.5 152.91 10.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.28 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.536 HG22 ' HE3' ' C' ' 2' ' ' LYS . 70.2 p -57.19 142.69 41.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.148 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 71' ' ' LYS . 12.1 mptt 57.62 25.3 11.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.956 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.459 ' ND1' ' HG3' ' A' ' 87' ' ' LYS . 45.1 m170 -123.8 54.98 1.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.748 0.309 . . . . 0.0 110.836 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.828 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 7.8 t80 -166.38 148.38 6.7 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.641 HD12 ' CB ' ' A' ' 18' ' ' GLN . 8.5 tt -166.24 130.43 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-O 121.12 0.486 . . . . 0.0 111.93 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.536 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 48.2 t80 -113.12 140.98 47.44 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.444 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.5 p90 -168.73 138.15 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 111.777 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.504 ' HB2' HG22 ' A' ' 7' ' ' VAL . 9.8 m-85 -79.51 145.84 33.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.742 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' A' ' 6' ' ' ALA . 37.2 tp -170.34 139.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.587 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.469 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 55.63 43.21 86.12 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.621 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.2 mm100 54.61 34.67 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.704 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.6 m -158.5 131.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.549 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.501 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.94 123.32 21.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.563 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.528 HD13 ' HB1' ' A' ' 25' ' ' ALA . 53.7 mt -100.51 149.16 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.582 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.828 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 63.4 tp -142.99 140.79 31.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 42' ' ' ILE . 62.9 tp -150.35 138.94 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.447 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.515 ' HE2' HG11 ' A' ' 66' ' ' VAL . 5.1 p90 -173.14 120.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.685 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -86.06 170.18 12.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.224 0.535 . . . . 0.0 111.6 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.741 179.619 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.7 m -97.47 138.29 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 111.899 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.859 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -81.94 145.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.518 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -129.64 -39.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -133.91 53.23 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.37 . . . . 0.0 111.227 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.859 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -57.27 137.49 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.0 t70 -175.41 53.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.37 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' B' ' 72' ' ' HIS . 51.2 ttm -168.69 151.97 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.369 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -40.97 139.89 0.82 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 111.896 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.412 ' HA ' ' CG ' ' B' ' 18' ' ' GLN . 16.7 pt-20 -51.21 -43.37 61.4 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.77 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.11 -42.59 98.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.109 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtt -64.93 -50.77 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.988 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.847 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.1 pt20 -64.37 -37.64 88.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.514 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -69.39 -41.96 75.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.547 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -68.04 -36.6 80.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.485 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 t -64.68 -44.0 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 18' ' ' GLN . 59.5 t -63.56 -46.37 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.19 -45.1 86.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.51 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.75 -35.12 78.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.068 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.883 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.31 -37.64 77.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.222 0.535 . . . . 0.0 109.91 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -61.75 -46.02 91.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.627 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -58.86 -46.86 86.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.31 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.8 ' HB3' HG23 ' B' ' 38' ' ' ILE . . . -54.78 -41.43 70.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.678 HD23 HD11 ' B' ' 38' ' ' ILE . 36.1 mt -61.85 -48.27 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.386 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -66.42 -32.54 73.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.048 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.55 ' HG3' ' CD2' ' B' ' 32' ' ' TYR . 0.1 OUTLIER -87.46 -29.27 21.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.717 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.598 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 43.7 m-85 -133.08 -49.16 0.86 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.45 -0.5 . . . . 0.0 112.293 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.626 ' O ' HD13 ' B' ' 34' ' ' ILE . 49.5 t30 69.45 49.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 33' ' ' ASN . 48.0 mm -136.13 134.47 50.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.535 ' CD ' HG12 ' B' ' 58' ' ' VAL . 3.9 mm-40 -54.36 -55.35 29.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' B' ' 36' ' ' LYS . 3.3 tmmm? -69.86 -48.87 57.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.557 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.3 m-20 -57.4 -47.42 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 111.633 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.8 HG23 ' HB3' ' B' ' 28' ' ' ALA . 96.9 mt -55.55 -45.96 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.407 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.98 73.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -65.7 -48.16 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.086 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.598 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 13.9 m-70 -61.82 -51.54 67.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.447 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.883 HD11 ' HA ' ' B' ' 25' ' ' ALA . 60.8 mt -56.27 -45.4 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.542 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.508 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 86.9 tttt -58.18 -52.7 64.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.954 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -55.99 -44.22 78.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.1 -47.85 80.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.621 0.248 . . . . 0.0 111.158 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' B' ' 85' ' ' LEU . 30.7 m-85 -65.19 -43.49 91.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.689 0.281 . . . . 0.0 111.587 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.56 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.3 m-20 -56.02 -36.95 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 110.717 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.3 tmtp? -72.55 -40.11 66.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.167 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -81.96 -62.79 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 15.6 m-85 -90.13 -17.25 28.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' B' ' 47' ' ' ASP . 57.9 m-20 91.64 142.47 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.37 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 51.0 Cg_exo -52.95 170.77 0.27 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 112.839 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.732 HG22 ' O ' ' B' ' 88' ' ' SER . 11.1 t -119.18 110.75 17.4 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 122.782 0.433 . . . . 0.0 111.328 0.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.741 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 23.0 m95 -86.95 117.99 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.232 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -91.12 134.27 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 37.6 t -131.3 149.9 52.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 112.364 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.681 HG23 ' HB3' ' A' ' 64' ' ' SER . 51.8 mt -148.41 149.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.106 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.535 HG12 ' CD ' ' B' ' 35' ' ' GLU . 45.6 t -156.35 138.76 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.025 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.48 -135.2 2.56 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.948 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.6 ptt180 -176.5 32.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.592 ' HA ' ' HA ' ' D' ' 9' ' ' ASP . 39.1 t30 167.14 82.56 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 110.368 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.623 ' HE2' HG21 ' B' ' 57' ' ' ILE . 6.1 p90 -172.55 134.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.731 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.17 136.64 17.18 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 87.4 p -125.21 150.61 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.427 0.613 . . . . 0.0 112.259 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.431 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 24.8 t80 -154.31 123.04 6.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.092 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.671 HG13 ' CD2' ' A' ' 55' ' ' HIS . 59.6 t -158.87 163.68 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 111.611 -178.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' B' ' 66' ' ' VAL . 95.2 m -112.27 156.51 22.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 22.6 p80 -170.31 143.91 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 111.897 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.49 153.58 31.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -57.72 153.11 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.648 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.588 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.51 38.84 7.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.756 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 82.7 m-70 -163.35 70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.701 ' CZ ' HG23 ' D' ' 4' ' ' THR . 2.1 t80 -164.0 126.87 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.312 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.722 ' O ' HD12 ' B' ' 84' ' ' LEU . 9.9 tt -153.76 134.53 4.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 0.0 112.018 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.581 ' OH ' HG22 ' D' ' 8' ' ' VAL . 4.9 t80 -138.97 138.12 37.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.284 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.814 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.1 p90 -166.77 138.2 3.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 40.5 m-85 -78.17 149.59 33.71 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.829 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.581 ' O ' HG22 ' B' ' 81' ' ' VAL . 47.7 tp -170.19 140.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.23 39.52 64.65 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.297 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 81' ' ' VAL . 72.7 mt-30 57.56 38.74 28.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.743 0.306 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.581 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.0 m -157.81 136.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.987 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.534 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.89 140.62 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -127.91 133.8 66.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.722 HD12 ' O ' ' B' ' 74' ' ' ILE . 61.7 tp -134.85 145.29 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 111.209 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' B' ' 46' ' ' PHE . 51.6 tp -159.89 142.97 13.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.526 ' CZ ' HG11 ' B' ' 66' ' ' VAL . 11.0 p90 -177.77 128.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.741 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -84.64 158.22 20.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 111.366 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.732 ' O ' HG22 ' B' ' 53' ' ' THR . 46.6 t -136.72 135.41 38.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.536 ' HE3' HG22 ' A' ' 70' ' ' THR . 0.8 OUTLIER -101.87 134.56 44.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.533 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.1 p30 -82.01 120.87 25.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.555 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.547 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.6 t -82.26 146.37 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.613 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -153.31 125.2 1.72 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.336 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.92 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.6 pp -160.43 136.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.103 0.478 . . . . 0.0 111.394 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -109.16 73.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.183 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.646 HG23 HD13 ' C' ' 6' ' ' ILE . 47.1 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.363 . . . . 0.0 111.008 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.535 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 8.3 t0 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 121.052 0.453 . . . . 0.0 111.813 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.701 HG23 ' CZ ' ' B' ' 73' ' ' PHE . 52.1 m -75.59 140.98 42.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.137 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.591 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -159.84 128.37 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.183 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.892 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -161.46 146.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 111.768 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -103.61 87.69 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.318 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.817 HG23 HD13 ' D' ' 6' ' ' ILE . 80.3 t -69.37 140.84 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 0.0 111.244 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.592 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.085 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.949 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.736 0.303 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -101.28 138.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.998 0.428 . . . . 0.0 111.896 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -77.67 144.78 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.055 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 31.5 mmmt -128.13 -38.17 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.397 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -146.55 53.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 111.028 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.567 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.42 142.0 34.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.472 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -170.65 56.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.496 ' HE2' ' HA ' ' A' ' 72' ' ' HIS . 50.0 ttm -165.95 161.94 17.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.405 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.439 ' N ' ' HG2' ' A' ' 13' ' ' MET . 54.1 m -49.63 136.26 17.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -50.51 -44.27 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.503 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 17' ' ' MET . 24.3 pt-20 -59.85 -46.38 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 65.8 mtt -58.83 -44.92 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.687 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.91 ' HG2' HD12 ' A' ' 74' ' ' ILE . 34.6 mt-30 -55.34 -43.49 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.25 -43.59 98.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.44 -38.68 87.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.581 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -68.75 -45.7 70.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.315 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.87 HG22 ' CE2' ' A' ' 76' ' ' PHE . 47.1 t -67.33 -41.03 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.08 -43.26 78.95 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.387 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.28 -38.93 92.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.578 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.775 ' CB ' HD11 ' A' ' 42' ' ' ILE . . . -67.49 -35.98 80.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.7 m -60.45 -45.4 93.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.397 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -59.8 -46.65 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.399 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -56.72 -37.08 70.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.02 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.865 ' CD2' HD11 ' A' ' 38' ' ' ILE . 63.6 mt -66.18 -49.54 67.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.453 . . . . 0.0 111.396 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -72.22 -32.54 66.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.05 -16.92 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.097 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE2' ' NE2' ' A' ' 41' ' ' HIS . 46.7 m-85 -144.81 -36.66 0.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 54.59 50.57 15.69 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.492 ' O ' HG13 ' A' ' 38' ' ' ILE . 66.6 mt -146.46 127.37 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.62 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.92 -47.53 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.788 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' D' ' 7' ' ' GLN . 19.4 ttpp -58.32 -55.19 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.381 . . . . 0.0 111.319 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 55.4 m-20 -54.66 -44.85 73.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.536 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.865 HD11 ' CD2' ' A' ' 29' ' ' LEU . 98.7 mt -51.64 -42.51 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.978 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.43 -42.3 79.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.693 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.19 89.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 64.2 m-70 -68.14 -54.31 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.893 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.775 HD11 ' CB ' ' A' ' 25' ' ' ALA . 65.2 mt -58.59 -42.1 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.6 -52.93 63.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.184 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 41' ' ' HIS . 64.9 pttt -62.21 -44.3 96.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 5.2 mm-40 -55.58 -48.08 75.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.313 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 28.1 m-85 -71.94 -44.64 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 37.5 m-20 -55.77 -34.64 65.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -83.34 -40.14 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -80.17 -60.36 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.7 m-85 -85.79 -18.82 31.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 93.99 144.74 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 C-N-CA 122.848 0.459 . . . . 0.0 110.138 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 38.5 Cg_exo -61.02 169.33 6.12 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.469 2.113 . . . . 0.0 112.91 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -116.99 121.49 41.52 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 0.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.63 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 25.3 m95 -94.53 127.86 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.054 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 21.6 m-70 -101.35 136.41 41.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -135.81 148.11 48.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.392 0.615 . . . . 0.0 112.375 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.56 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 51.9 mt -148.39 135.15 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.848 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 50.6 t -145.11 133.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.997 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.89 -132.03 1.82 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.217 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.4 ptt180 -179.03 40.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 163.13 82.39 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.231 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CZ ' HG22 ' A' ' 57' ' ' ILE . 10.7 p90 -171.87 137.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.357 0.598 . . . . 0.0 112.464 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.64 150.46 19.66 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.648 ' HB3' HG23 ' B' ' 57' ' ' ILE . 70.2 p -166.39 154.89 10.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 23.4 m-85 -138.11 137.5 37.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.097 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 14.2 t -155.11 159.83 2.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.88 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.42 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.3 m -116.93 147.74 41.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -165.28 154.43 12.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.21 0.528 . . . . 0.0 112.076 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -59.09 140.02 56.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.104 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.4 HG23 ' N ' ' C' ' 1' ' ' MET . 67.5 p -58.96 150.94 23.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.6 37.41 7.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.637 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.496 ' HA ' ' HE2' ' A' ' 13' ' ' MET . 66.4 m80 -155.66 56.34 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.629 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 6.8 t80 -160.06 144.81 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.912 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.91 HD12 ' HG2' ' A' ' 18' ' ' GLN . 11.1 tt -160.01 129.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.361 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.543 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 37.8 t80 -125.83 133.7 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.547 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.87 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -165.94 137.35 3.78 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.87 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 64.4 m-85 -73.88 154.69 39.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.277 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.949 HD13 ' HB2' ' A' ' 6' ' ' ALA . 37.6 tp -161.87 132.65 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 111.91 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.41 -65.39 0.26 Allowed Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.067 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 81' ' ' VAL . 19.0 pt20 179.47 35.67 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.91 0.386 . . . . 0.0 110.102 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.8 m -160.85 135.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.752 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.87 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -69.96 126.83 30.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.0 mt -106.5 136.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 60.5 tp -128.13 141.38 51.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 46' ' ' PHE . 50.0 tp -156.87 138.58 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.451 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.514 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.6 p90 -178.23 126.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.641 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.63 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -96.45 170.14 9.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.18 0.514 . . . . 0.0 111.807 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.473 ' N ' ' HD3' ' A' ' 87' ' ' LYS . 39.8 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.702 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.811 ' HB2' ' CG ' ' B' ' 78' ' ' LEU . . . . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.959 0.409 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.0 m -107.62 136.83 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.627 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.884 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -89.66 145.98 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.075 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -135.47 -43.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.976 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' B' ' 75' ' ' TYR . 0.3 OUTLIER -114.88 51.76 0.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.021 0.439 . . . . 0.0 110.271 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.884 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -55.06 137.01 47.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.226 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -177.68 52.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.46 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.54 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 52.2 ttm -167.48 148.16 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.081 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -42.46 145.52 0.41 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.923 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.551 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 24.5 pt-20 -55.28 -44.93 76.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.707 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -65.8 -45.27 83.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.54 ' HB2' ' HG2' ' B' ' 13' ' ' MET . 86.5 mtp -62.4 -49.42 75.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.873 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.2 pt20 -64.93 -38.29 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.619 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -68.31 -39.98 81.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -67.2 -37.49 83.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.655 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.78 -42.43 86.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.033 0.444 . . . . 0.0 110.036 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.905 HG22 ' CE2' ' B' ' 76' ' ' PHE . 51.9 t -63.33 -49.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.471 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' B' ' 23' ' ' GLU . 5.2 mm-40 -65.43 -42.72 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.83 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -61.73 -34.31 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.648 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.802 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.02 -38.83 79.43 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.8 m -59.5 -45.69 90.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.19 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.91 -39.14 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.836 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.88 -45.95 78.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.234 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' B' ' 38' ' ' ILE . 61.6 mt -64.0 -43.89 94.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.001 0.429 . . . . 0.0 111.03 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.54 -33.62 76.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -86.61 -40.8 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.916 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -112.95 -45.49 3.18 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 66.35 44.91 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.964 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.562 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.6 mt -154.12 124.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' B' ' 38' ' ' ILE . 11.9 pt-20 -45.12 -44.76 10.82 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -59.45 -58.21 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.5 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 58.9 m-20 -54.6 -42.51 71.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.238 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.82 HD11 ' CD2' ' B' ' 29' ' ' LEU . 75.9 mt -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 111.061 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' B' ' 43' ' ' LYS . . . -66.61 -23.14 66.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.986 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -67.67 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.486 -178.675 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.802 HD11 ' HA ' ' B' ' 25' ' ' ALA . 72.9 mt -60.37 -44.01 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.476 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.51 ' HD3' ' C ' ' B' ' 43' ' ' LYS . 13.2 tmtt? -61.71 -49.81 74.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 20.2 pttp -64.99 -41.37 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.411 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.11 -56.68 17.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.601 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 42.3 m-85 -62.93 -43.94 97.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.435 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.6 t0 -54.52 -43.44 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.79 -45.25 37.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.985 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.23 -69.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.0 m-30 -72.41 -11.74 60.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.967 -178.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 90.93 143.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 O-C-N 123.505 0.503 . . . . 0.0 110.456 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.412 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 23.5 Cg_endo -61.64 168.91 7.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.32 2.013 . . . . 0.0 112.29 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.569 HG22 ' O ' ' B' ' 88' ' ' SER . 9.5 t -113.64 130.05 56.46 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.892 0.477 . . . . 0.0 110.464 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.601 ' CE2' ' HB3' ' B' ' 46' ' ' PHE . 24.7 m95 -103.31 133.74 47.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.49 ' ND1' HG13 ' A' ' 66' ' ' VAL . 23.4 m-70 -111.85 136.32 51.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.045 -0.98 . . . . 0.0 108.598 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.3 t -141.78 149.51 40.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.248 0.547 . . . . 0.0 112.295 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 64' ' ' SER . 39.5 mt -148.65 142.35 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.066 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.06 134.67 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.59 -130.08 1.55 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.249 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 23.2 ptt-85 -174.14 35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.705 0.288 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 43.5 t30 168.74 80.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.714 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.523 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 4.9 p90 -155.89 130.16 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' D' ' 6' ' ' ILE . . . -103.23 139.5 14.48 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.446 ' HB2' HG12 ' A' ' 57' ' ' ILE . 76.2 p -163.44 163.05 25.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.711 1.255 . . . . 0.0 114.297 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' D' ' 4' ' ' THR . 17.8 m-85 -135.5 143.96 46.09 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.862 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.633 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 24.4 t -159.15 161.28 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.547 ' N ' HG12 ' B' ' 66' ' ' VAL . 81.4 m -109.79 139.22 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.456 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 31.1 p80 -157.68 136.51 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 111.662 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.417 ' HG3' ' CG ' ' B' ' 72' ' ' HIS . 16.5 pt-20 -57.58 148.87 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.8 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -57.37 148.65 22.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.7 35.92 8.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.551 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.417 ' CG ' ' HG3' ' B' ' 69' ' ' GLU . 58.7 m80 -153.83 69.42 0.79 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.732 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.641 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.8 t80 -176.42 143.44 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.75 HD12 ' HB2' ' B' ' 18' ' ' GLN . 7.8 tt -155.01 131.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.282 0.563 . . . . 0.0 112.096 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.59 ' HB3' ' HB3' ' B' ' 10' ' ' ASN . 5.3 t80 -130.82 134.72 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.905 ' CE2' HG22 ' B' ' 22' ' ' VAL . 2.7 p90 -169.98 135.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.128 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 52.6 m-85 -72.81 149.27 43.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.811 ' CG ' ' HB2' ' B' ' 6' ' ' ALA . 3.5 tt -170.09 138.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.759 ' N ' HD23 ' B' ' 78' ' ' LEU . . . 55.51 40.38 77.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 81' ' ' VAL . 14.1 mp0 57.83 36.19 26.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.682 0.277 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.8 m -158.39 135.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.498 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -69.85 136.39 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.192 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 56.0 mt -119.42 141.26 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 65.7 tp -140.04 139.92 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.426 HD11 ' HE3' ' B' ' 54' ' ' TRP . 58.3 tp -158.87 140.24 13.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.706 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.641 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.3 p90 -177.55 133.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' B' ' 53' ' ' THR . 63.5 pttt -99.57 142.58 30.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 111.609 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.569 ' O ' HG22 ' B' ' 53' ' ' THR . 46.7 t -111.7 132.07 54.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.471 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.4 ' N ' HG23 ' A' ' 70' ' ' THR . 1.9 mpt? . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -154.24 129.9 10.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.559 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -81.08 117.46 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.838 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.519 HG22 ' HB ' ' A' ' 66' ' ' VAL . 15.3 t -74.97 141.16 44.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.105 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.94 134.19 6.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.4 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -155.87 170.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.12 0.486 . . . . 0.0 111.718 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.504 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 38.9 tt0 -157.84 69.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.31 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 52.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 -179.388 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.795 0.331 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.568 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.1 t -70.01 148.92 48.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.984 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.605 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -152.54 129.42 2.76 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.887 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -159.5 134.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 111.792 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 14.4 pt20 -110.0 73.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.486 HG23 HD13 ' D' ' 6' ' ' ILE . 38.7 t -69.11 131.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.512 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.6 m-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.412 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.829 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 111.849 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.8 m -95.84 138.49 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.324 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.826 HG12 ' HB2' ' A' ' 11' ' ' ALA . 9.3 tp -85.64 141.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 3.8 mmmp? -120.41 -52.17 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.392 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ALA . 6.1 m120 -92.45 -60.63 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.605 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.826 ' HB2' HG12 ' A' ' 8' ' ' ILE . . . 60.35 131.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 36.5 t70 -177.54 56.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 0.0 111.435 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.439 ' HB2' ' CE ' ' A' ' 17' ' ' MET . 16.4 ptp -171.54 -177.05 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 m -58.28 140.01 54.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -52.86 -46.42 67.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.496 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.6 pt-20 -69.53 -37.16 77.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.439 ' CE ' ' HB2' ' A' ' 13' ' ' MET . 38.6 ttp -68.33 -42.33 79.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.923 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.609 ' HB2' HD12 ' A' ' 74' ' ' ILE . 15.8 pt20 -65.21 -41.94 93.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.21 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 3.1 pt20 -63.0 -37.98 89.36 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.07 -36.71 80.36 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.916 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.1 t -63.77 -43.48 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.708 HG13 ' HB3' ' A' ' 6' ' ' ALA . 59.3 t -63.45 -46.55 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.419 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.68 -45.83 84.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.149 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.29 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.755 ' HB2' HD11 ' A' ' 42' ' ' ILE . . . -68.88 -36.78 78.49 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 109.812 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -60.91 -48.11 83.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.735 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -59.12 -47.43 85.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB2' ' CB ' ' A' ' 41' ' ' HIS . . . -54.34 -36.55 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.678 ' CD2' HD11 ' A' ' 38' ' ' ILE . 54.6 mt -63.56 -47.72 80.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.641 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.37 -26.25 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.093 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 26.9 mmmt -90.2 -51.19 5.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.453 0.644 . . . . 0.0 109.979 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' C ' ' H ' ' A' ' 34' ' ' ILE . 8.5 m-85 -137.15 94.61 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.612 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -70.28 24.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 111.131 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -98.7 136.2 30.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.539 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.6 mt-10 -48.43 -49.22 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.824 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.512 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 6.3 ttpm? -60.49 -57.35 13.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.337 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 32' ' ' TYR . 59.8 m-20 -52.07 -42.35 63.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 29' ' ' LEU . 86.5 mt -48.0 -43.96 11.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.437 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -63.16 -30.33 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.012 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -65.27 -45.89 82.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.599 ' CB ' ' HB2' ' A' ' 28' ' ' ALA . 27.6 m-70 -63.75 -62.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.755 HD11 ' HB2' ' A' ' 25' ' ' ALA . 64.7 mt -55.12 -42.75 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.312 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 13.3 tmtt? -61.98 -52.35 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 41' ' ' HIS . 64.5 pttt -68.78 -45.41 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 97.5 mt-10 -53.93 -48.94 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.516 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 20.9 m-85 -65.99 -44.47 84.76 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.67 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 30.0 m-20 -55.97 -33.97 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.643 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.535 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.82 -42.82 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.357 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -76.28 -69.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 49.8 m-85 -80.75 -14.8 57.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.527 -0.761 . . . . 0.0 113.015 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 4.8 m120 90.08 145.49 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 122.528 0.331 . . . . 0.0 110.115 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -55.83 168.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.113 1.875 . . . . 0.0 112.562 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 88' ' ' SER . 11.3 t -113.16 130.87 56.07 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.853 0.461 . . . . 0.0 111.23 0.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.522 ' NE1' ' HD3' ' A' ' 87' ' ' LYS . 27.4 m95 -112.28 135.83 52.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.021 0.439 . . . . 0.0 111.469 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . 14.7 m-70 -111.97 150.26 30.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -150.76 150.95 31.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.844 0.831 . . . . 0.0 113.183 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.792 HG23 ' O ' ' B' ' 63' ' ' GLY . 57.1 mt -151.71 136.06 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.196 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 HG23 ' A' ' 83' ' ' ILE . 55.1 t -136.26 136.35 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.373 . . . . 0.0 111.374 -179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' HA2' ' OE1' ' A' ' 35' ' ' GLU . . . 179.56 -131.75 1.72 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.56 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 37.4 ptt85 -179.84 44.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.647 0.26 . . . . 0.0 111.477 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.576 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 40.6 t30 162.9 82.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 2.2 p90 -166.61 130.47 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.576 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.73 136.9 12.94 Favored Glycine 0 CA--C 1.511 -0.195 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.795 ' HB3' HD13 ' B' ' 57' ' ' ILE . 19.9 m -164.54 161.63 21.28 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CD1' ' HB3' ' B' ' 39' ' ' ALA . 12.9 m-85 -123.14 148.71 45.42 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.84 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 43.5 t -157.1 162.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.537 ' N ' HG12 ' A' ' 66' ' ' VAL . 60.9 m -125.41 140.29 52.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' CG ' ' HB2' ' A' ' 73' ' ' PHE . 33.3 p80 -159.12 147.76 18.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.458 ' HG3' ' ND1' ' A' ' 72' ' ' HIS . 24.3 pt-20 -68.77 147.58 51.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.975 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.0 p -54.06 144.6 18.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.803 0.335 . . . . 0.0 111.375 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.639 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 67.79 34.15 4.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.306 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.458 ' ND1' ' HG3' ' A' ' 69' ' ' GLU . 58.4 m80 -155.02 52.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.791 ' CE1' HD11 ' A' ' 84' ' ' LEU . 43.8 t80 -166.52 144.7 5.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.221 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.696 HG13 HD11 ' A' ' 8' ' ' ILE . 9.2 tt -167.15 139.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.305 0.574 . . . . 0.0 112.184 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 82' ' ' ALA . 44.2 t80 -132.25 138.12 47.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.463 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.538 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 7.5 p90 -167.69 141.55 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.842 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 65.0 m-85 -81.4 151.32 27.98 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 6' ' ' ALA . 28.9 tp -162.98 134.89 5.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.45 -67.88 0.25 Allowed Glycine 0 C--N 1.334 0.451 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.31 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 81' ' ' VAL . 39.1 tt0 -177.81 34.11 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.056 0.455 . . . . 0.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.2 m -163.24 140.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.842 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -82.43 125.32 30.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.372 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.632 ' N ' HD12 ' A' ' 83' ' ' ILE . 2.0 mp -105.33 134.05 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.688 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.791 HD11 ' CE1' ' A' ' 73' ' ' PHE . 55.4 tp -119.93 122.2 40.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.479 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.578 ' HB3' HG23 ' A' ' 74' ' ' ILE . 58.8 tp -109.08 141.65 40.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 111.232 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.581 ' HB2' ' HB2' ' A' ' 55' ' ' HIS . 20.4 m-85 -133.83 154.8 50.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.544 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.522 ' HD3' ' NE1' ' A' ' 54' ' ' TRP . 18.0 tptm -152.61 121.36 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.1 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 53' ' ' THR . 50.7 m . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.006 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.658 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' B' ' 77' ' ' TYR . 27.2 m -84.45 139.69 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.009 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' B' ' 11' ' ' ALA . 18.5 mt -113.88 143.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -137.37 9.66 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.839 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.463 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 75.4 m-20 -162.17 42.34 0.13 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -66.86 134.58 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.726 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -175.52 69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.714 0.292 . . . . 0.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.899 ' O ' ' HB2' ' B' ' 17' ' ' MET . 23.6 ptm -176.37 54.92 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.738 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 33.5 t 62.75 135.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 110.986 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -54.0 -46.1 71.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.088 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.97 -44.97 87.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.428 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.899 ' HB2' ' O ' ' B' ' 13' ' ' MET . 66.4 mtt -63.25 -50.99 68.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.869 ' HB2' HD12 ' B' ' 74' ' ' ILE . 17.3 pt20 -61.89 -40.58 95.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.852 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -68.98 -37.75 78.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.825 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.87 -36.89 85.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.696 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -67.36 -44.33 79.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.968 0.413 . . . . 0.0 110.073 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.85 HG22 ' CE2' ' B' ' 76' ' ' PHE . 47.8 t -64.49 -45.96 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.365 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.32 -43.76 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.145 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.57 -35.91 82.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.963 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.901 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -67.34 -37.62 83.57 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.275 0.559 . . . . 0.0 109.99 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 95.5 m -63.34 -45.66 90.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.43 -44.49 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' B' ' 38' ' ' ILE . . . -58.2 -43.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.713 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 1.055 HD21 HD11 ' B' ' 38' ' ' ILE . 43.8 mt -56.91 -43.31 81.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.922 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.16 -31.29 71.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.447 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 68.1 mttm -78.01 -37.59 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' B' ' 33' ' ' ASN . 66.7 m-85 -130.3 -49.19 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.652 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.853 ' C ' HD12 ' B' ' 34' ' ' ILE . 50.1 t30 79.03 43.62 0.07 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.375 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.853 HD12 ' C ' ' B' ' 33' ' ' ASN . 3.0 mp -140.21 132.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.444 ' CB ' HG12 ' B' ' 58' ' ' VAL . 13.5 pm0 -46.3 -38.29 8.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.412 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.639 ' H ' HG22 ' B' ' 34' ' ' ILE . 18.1 ttpp -63.99 -54.31 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 59.9 m-20 -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.699 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 1.055 HD11 HD21 ' B' ' 29' ' ' LEU . 71.1 mt -48.43 -40.5 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 110.649 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.626 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -67.57 -36.72 81.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.21 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.31 -53.81 53.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.728 0.299 . . . . 0.0 111.303 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.447 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 78.5 m-70 -60.49 -57.41 12.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.986 0.422 . . . . 0.0 111.532 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.901 HD11 ' HB2' ' B' ' 25' ' ' ALA . 63.9 mt -56.14 -41.01 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.068 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.543 ' HZ2' ' HB3' ' B' ' 43' ' ' LYS . 6.6 ttpm? -59.36 -56.49 21.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.28 -45.69 90.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.1 mm-40 -53.61 -46.48 70.42 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.53 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 39.0 m-85 -80.35 -44.36 19.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -60.05 -36.66 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.374 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -81.49 -40.31 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -79.29 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.712 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.7 m-85 -84.28 -16.21 43.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 60.7 m-20 92.22 142.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.341 0 C-N-CA 122.725 0.41 . . . . 0.0 110.105 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.446 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -58.72 171.76 1.86 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.394 2.063 . . . . 0.0 112.737 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.667 HG22 ' O ' ' B' ' 88' ' ' SER . 12.8 t -116.19 113.79 23.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.751 0.42 . . . . 0.0 111.109 0.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.649 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.2 m95 -91.25 129.02 37.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 112.302 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.478 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 59.8 m-70 -103.01 133.12 48.66 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.452 ' O ' HD13 ' B' ' 57' ' ' ILE . 50.2 t -127.32 138.77 53.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.09 0.472 . . . . 0.0 112.037 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.795 HD13 ' HB3' ' A' ' 64' ' ' SER . 29.9 mm -131.4 139.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.739 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.447 HG11 HD12 ' B' ' 38' ' ' ILE . 45.3 t -153.87 133.54 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.939 0.399 . . . . 0.0 111.592 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 170.48 -145.24 8.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.66 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 17.7 mmm180 -162.29 36.99 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 170.56 79.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.742 ' CZ ' HG21 ' D' ' 8' ' ' VAL . 21.2 p90 -168.56 133.7 1.69 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.187 0.517 . . . . 0.0 112.281 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.792 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -80.14 131.65 10.7 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 52.7 m -115.16 137.32 52.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.611 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 2.6 t80 -151.55 117.15 5.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.616 HG12 ' N ' ' B' ' 67' ' ' THR . 25.5 t -156.48 170.14 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.616 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.0 m -124.42 141.98 51.66 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 30.3 p80 -162.41 151.72 15.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.927 0.394 . . . . 0.0 111.871 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -60.52 148.13 38.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.007 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.6 p -62.39 154.24 28.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.053 0.454 . . . . 0.0 111.668 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.727 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 66.15 38.75 4.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.817 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 36.2 m80 -163.42 69.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.833 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 8.3 t80 -169.93 142.31 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.869 HD12 ' HB2' ' B' ' 18' ' ' GLN . 6.8 tt -159.63 140.73 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.255 0.55 . . . . 0.0 112.322 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.539 ' CE1' ' HB1' ' B' ' 82' ' ' ALA . 45.5 t80 -134.17 135.41 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.362 -0.836 . . . . 0.0 108.939 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.85 ' CE2' HG22 ' B' ' 22' ' ' VAL . 9.8 p90 -166.52 140.28 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.97 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.741 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 58.9 m-85 -88.96 148.64 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.264 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.658 HD13 ' HB2' ' B' ' 6' ' ' ALA . 22.3 tp -159.62 134.96 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.618 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.59 -65.3 0.28 Allowed Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.939 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.439 ' O ' HG13 ' B' ' 81' ' ' VAL . 26.0 pt20 178.1 36.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.935 0.398 . . . . 0.0 110.332 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.439 HG13 ' O ' ' B' ' 80' ' ' GLN . 26.8 m -159.61 137.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.097 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.741 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -77.37 143.52 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.647 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.488 ' N ' HD12 ' B' ' 83' ' ' ILE . 4.3 mp -126.5 138.74 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.863 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 46.6 tp -135.6 145.95 47.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.479 HD22 ' CG2' ' B' ' 42' ' ' ILE . 61.9 tp -157.26 145.41 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.329 . . . . 0.0 111.352 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.572 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 14.2 p90 -178.17 130.13 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.649 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -89.4 145.56 25.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.913 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.667 ' O ' HG22 ' B' ' 53' ' ' THR . 47.9 t -115.25 120.83 40.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.677 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.459 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.464 ' SD ' HG22 ' A' ' 67' ' ' THR . 20.7 ptp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -99.38 135.79 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.549 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 1.1 m-20 -74.34 121.98 22.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.454 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 11.2 t -86.8 136.25 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.18 136.89 11.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.21 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -147.88 167.54 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.132 0.492 . . . . 0.0 111.631 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.576 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.1 pt20 -160.49 69.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.475 HG21 ' OH ' ' A' ' 75' ' ' TYR . 50.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.3 p-10 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.892 0.377 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.475 HG22 ' HB ' ' B' ' 66' ' ' VAL . 8.9 t -74.44 139.51 44.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.443 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -138.33 117.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.073 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.443 HG23 ' O ' ' D' ' 5' ' ' GLY . 45.3 pt -161.16 170.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.36 . . . . 0.0 110.725 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -144.37 111.8 6.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.742 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 60.1 t -81.8 140.53 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.003 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.723 0.296 . . . . 0.0 111.567 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -98.38 136.75 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.084 0.468 . . . . 0.0 111.657 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -87.92 127.95 40.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.738 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.517 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 31.5 mmmt -81.22 -33.7 32.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.478 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -155.16 -48.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . 64.12 145.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 33.7 t70 -169.55 62.68 0.05 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.069 0.461 . . . . 0.0 110.913 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.4 ptp -174.82 166.77 3.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -41.24 140.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.594 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -52.53 -48.21 66.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.351 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.3 -39.04 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.69 -51.67 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.76 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 pt20 -60.72 -39.07 87.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.818 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.67 -44.1 87.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.578 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -60.79 -37.98 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.3 m -66.43 -42.54 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.962 0.41 . . . . 0.0 109.997 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.951 HG22 ' CE2' ' A' ' 76' ' ' PHE . 43.8 t -64.4 -45.91 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.211 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -64.51 -48.08 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.9 m -65.51 -34.61 78.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.356 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.928 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.76 -37.49 73.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.163 0.506 . . . . 0.0 109.769 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.9 m -65.09 -50.2 67.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.448 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 10.7 mm100 -59.29 -36.34 75.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.845 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.826 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -58.48 -48.74 79.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.004 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.34 -46.76 87.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.531 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 11.3 pt-20 -66.66 -28.21 68.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 9.0 mtpm? -85.67 -41.53 15.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.42 -46.39 2.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.84 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.512 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER 66.9 49.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.993 0.425 . . . . 0.0 110.35 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.591 ' O ' HG12 ' A' ' 38' ' ' ILE . 55.5 mt -149.49 114.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -41.74 -44.54 3.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.26 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -64.11 -57.41 9.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.413 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.4 m-20 -59.44 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.332 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.826 HG23 ' CB ' ' A' ' 28' ' ' ALA . 4.7 mm -50.73 -53.23 14.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -63.79 -26.16 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' B' ' 65' ' ' TYR . . . -64.25 -57.76 8.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.823 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.613 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -64.05 -46.48 84.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.858 -179.339 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.928 HD11 ' HA ' ' A' ' 25' ' ' ALA . 64.7 mt -60.31 -37.62 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.11 -52.99 62.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -70.19 -43.0 71.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.904 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.61 -52.91 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.519 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 42' ' ' ILE . 8.1 m-85 -71.48 -44.57 64.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.639 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 8.7 t0 -54.03 -35.99 62.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.5 tmtt? -73.89 -49.68 23.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.352 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.73 -70.01 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.296 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 5.8 m-30 -68.77 -15.88 63.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.866 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 66.0 m-20 95.37 145.38 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 C-N-CA 122.866 0.466 . . . . 0.0 111.095 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.447 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 20.5 Cg_endo -61.2 163.16 17.74 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.689 2.259 . . . . 0.0 112.432 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 15.3 t -120.41 130.47 54.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.132 0.573 . . . . 0.0 110.366 0.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m95 -97.56 128.83 44.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 32.9 m-70 -95.37 129.84 42.37 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.685 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.739 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 73.4 m -124.75 142.72 51.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.406 0.622 . . . . 0.0 112.451 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 84' ' ' LEU . 51.9 mt -150.37 133.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.4 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 83' ' ' ILE . 40.3 t -153.6 140.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.81 -135.92 3.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.702 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.586 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 76.8 mtp180 -159.74 36.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.586 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 162.05 84.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' C' ' 8' ' ' VAL . 3.6 p90 -155.33 129.22 8.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.07 135.43 12.43 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 109.779 -1.329 . . . . 0.0 109.779 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.1 t -154.36 154.1 32.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.187 0.994 . . . . 0.0 113.676 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -137.93 129.74 28.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.167 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 4' ' ' THR . 15.8 t -153.73 162.3 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.4 m -108.24 153.4 23.26 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.51 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 23.7 p80 -168.11 145.52 4.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.055 0.455 . . . . 0.0 112.185 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HB3' ' ND1' ' A' ' 72' ' ' HIS . 17.3 tp10 -56.8 158.92 4.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.381 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.539 HG23 ' N ' ' C' ' 1' ' ' MET . 69.4 p -56.15 150.39 14.19 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.264 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.66 22.97 13.37 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.799 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 53.8 m170 -126.45 67.35 1.23 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.344 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.639 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 t80 -160.85 132.52 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 111.216 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.797 ' O ' HD12 ' A' ' 84' ' ' LEU . 11.2 tt -162.64 140.41 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 9' ' ' LYS . 38.0 t80 -152.52 136.2 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.676 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.951 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.0 p90 -168.99 140.85 2.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 0.0 111.902 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.759 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 7.3 m-85 -87.1 158.8 19.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.106 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 24.5 tp -165.2 133.97 3.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 111.668 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 67.55 -65.31 0.28 Allowed Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.094 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 81' ' ' VAL . 26.0 pt20 179.4 35.96 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.5 m -158.41 136.35 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.96 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . . . -85.75 128.03 34.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.601 ' N ' HD12 ' A' ' 83' ' ' ILE . 3.4 mp -110.04 136.39 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 74' ' ' ILE . 64.3 tp -127.57 143.94 51.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.771 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 74' ' ' ILE . 53.0 tp -155.19 142.26 19.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.053 0.454 . . . . 0.0 111.094 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 3.3 p90 -176.05 124.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.052 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 21.8 ptmt -94.12 170.61 9.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 0.0 111.85 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.607 179.86 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.74 0.305 . . . . 0.0 111.782 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 22.4 m -100.23 137.05 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.989 0.424 . . . . 0.0 111.63 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.889 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -84.34 141.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.963 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -128.54 -38.85 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.461 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -132.09 56.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 111.17 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -60.04 128.41 36.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.77 60.93 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.132 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.2 ttm -177.97 158.14 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 38.0 t -46.97 140.75 4.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.442 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.415 ' HA ' ' CG ' ' B' ' 18' ' ' GLN . 50.5 mt-10 -52.4 -44.65 65.47 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.863 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -59.29 -44.98 92.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.676 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.76 -46.15 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.294 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.853 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.6 pt20 -65.61 -36.69 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.517 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.5 pt20 -71.68 -39.13 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.838 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -69.83 -36.97 76.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.694 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.4 m -67.82 -42.61 81.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.923 0.392 . . . . 0.0 110.199 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 18' ' ' GLN . 64.8 t -65.44 -46.87 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.1 -42.46 84.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.27 -35.36 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.614 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.813 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -68.39 -37.66 80.6 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.794 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.197 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.428 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 99.4 mm-40 -60.35 -40.82 92.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.177 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -57.13 -43.38 82.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.868 ' CD2' HD11 ' B' ' 38' ' ' ILE . 49.3 mt -62.56 -48.36 79.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.597 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 10.9 pt-20 -65.23 -29.06 69.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.746 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 21.8 ptmt -89.41 -37.99 14.42 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.435 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 42.4 m-85 -111.37 -43.75 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 67.19 41.06 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.39 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.534 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -151.26 124.14 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.58 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' B' ' 38' ' ' ILE . 10.0 pt-20 -48.85 -46.86 42.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.186 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.43 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 0.1 OUTLIER -60.95 -48.93 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -56.68 -41.96 78.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 111.202 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.868 HD11 ' CD2' ' B' ' 29' ' ' LEU . 64.9 mt -54.38 -54.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.244 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -65.55 -28.19 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.386 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.46 -64.16 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.567 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -63.75 -45.32 90.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.592 -178.688 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.813 HD11 ' HA ' ' B' ' 25' ' ' ALA . 83.3 mt -59.75 -43.32 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.225 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' B' ' 43' ' ' LYS . 5.8 tmtm? -57.83 -51.96 67.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.774 0.321 . . . . 0.0 110.514 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.54 -53.47 57.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.021 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.425 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.6 m-85 -70.15 -42.49 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.057 0.456 . . . . 0.0 110.825 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.8 t0 -55.03 -41.83 71.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -77.03 -46.95 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.51 -62.35 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.479 0.657 . . . . 0.0 112.137 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.4 m-85 -77.39 -15.71 59.23 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.991 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.53 143.18 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.405 0 C-N-CA 122.93 0.492 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.427 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 30.8 Cg_endo -63.85 167.07 14.53 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.48 2.12 . . . . 0.0 112.653 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.514 HG23 ' CE1' ' B' ' 55' ' ' HIS . 12.3 t -116.08 127.02 54.52 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.84 0.456 . . . . 0.0 110.643 -0.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 28.7 m95 -99.21 130.96 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 0.0 112.255 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.514 ' CE1' HG23 ' B' ' 53' ' ' THR . 15.7 m-70 -110.59 133.6 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.839 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.406 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 49.3 t -134.43 153.53 51.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.415 0.626 . . . . 0.0 112.624 -178.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.523 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 55.7 mt -149.55 143.41 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.169 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -155.25 136.35 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.271 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.42 -132.21 1.81 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.019 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 24.1 ptt-85 -177.78 36.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 111.52 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 42.0 t30 166.13 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.99 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.1 p90 -173.38 141.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.383 0.611 . . . . 0.0 112.435 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -106.27 141.12 15.41 Favored Glycine 0 C--N 1.329 0.148 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.48 ' HB2' HG12 ' A' ' 57' ' ' ILE . 66.5 p -156.62 153.76 29.09 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.765 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 28.8 m-85 -127.18 143.35 51.28 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.696 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.665 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 38.2 t -157.21 162.92 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-O 120.474 0.178 . . . . 0.0 111.297 -178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.56 ' N ' HG12 ' B' ' 66' ' ' VAL . 51.6 m -111.37 142.58 43.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.464 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 29.3 p80 -157.91 135.34 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 111.89 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -55.41 144.51 25.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.192 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 25.1 p -53.08 146.88 10.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.954 0.407 . . . . 0.0 111.556 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm 64.27 37.18 8.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.585 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 67.2 m80 -157.51 69.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.814 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.677 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 37.0 t80 -163.97 138.53 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.519 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.66 HD12 ' CB ' ' B' ' 18' ' ' GLN . 11.3 tt -158.66 135.95 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.312 0.577 . . . . 0.0 112.036 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.428 ' HD2' HD13 ' B' ' 84' ' ' LEU . 4.6 t80 -137.72 134.09 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.087 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.846 ' CE2' HG22 ' B' ' 22' ' ' VAL . 9.0 p90 -165.87 143.24 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.141 0.496 . . . . 0.0 112.053 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 6.1 m-85 -76.65 145.99 38.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.979 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' B' ' 6' ' ' ALA . 36.2 tp -168.59 141.29 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.834 0.349 . . . . 0.0 110.95 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' B' ' 80' ' ' GLN . . . 53.71 46.59 66.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.837 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 79' ' ' GLY . 17.5 pt20 47.34 39.55 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.3 m -159.28 137.28 2.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.625 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.23 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.097 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 78' ' ' LEU . 53.6 mt -126.97 139.27 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.641 HD11 ' HE1' ' B' ' 73' ' ' PHE . 59.1 tp -136.44 142.55 43.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.736 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 74' ' ' ILE . 61.0 tp -157.41 144.27 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.888 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.677 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 10.3 p90 179.63 134.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.3 ptmt -97.08 170.4 9.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 111.356 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 52.2 m -148.36 136.12 20.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.457 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.539 ' N ' HG23 ' A' ' 70' ' ' THR . 12.3 tmm? . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 33.9 mmtp -157.14 135.53 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.4 p-10 -93.33 115.63 28.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.594 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 54.2 m -69.86 139.94 53.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.55 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.656 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -152.57 122.35 1.29 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.834 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.872 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.6 pp -161.47 138.54 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 111.98 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 22.2 pt20 -109.1 74.84 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.788 HG23 HD13 ' C' ' 6' ' ' ILE . 41.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.665 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.3 p-10 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.895 0.378 . . . . 0.0 111.596 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.556 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.5 t -74.76 144.02 43.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.288 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.633 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -144.82 129.66 3.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.099 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.851 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.4 pp -160.84 143.41 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.296 0.569 . . . . 0.0 112.254 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.487 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 17.9 tt0 -122.61 116.31 23.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.465 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.74 143.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.966 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 7.5 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.633 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 1.053 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.73 0.3 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.1 m -104.25 136.85 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.969 0.414 . . . . 0.0 111.775 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -85.28 140.58 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.851 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -124.92 -33.86 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.402 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -138.66 58.85 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 111.326 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.11 140.42 38.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -175.53 59.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.424 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.0 ttm -177.47 157.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.692 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -46.32 140.99 3.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -53.5 -45.14 69.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.862 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.483 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 12.5 pt-20 -62.95 -40.71 98.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.544 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtt -65.07 -46.05 82.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.741 0.305 . . . . 0.0 111.308 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.745 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.0 pt20 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.539 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 18.6 pt20 -70.19 -38.72 75.41 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.342 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.57 -39.83 95.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.5 m -66.08 -45.01 82.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 0.0 110.165 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.991 HG22 ' CE2' ' A' ' 76' ' ' PHE . 47.0 t -63.04 -45.83 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.533 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -66.42 -45.56 79.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.3 m -65.3 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.041 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.87 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.64 -40.41 73.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.227 0.537 . . . . 0.0 109.683 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.4 m -60.42 -48.4 81.93 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.293 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -59.71 -36.86 77.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.705 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.614 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -58.58 -41.64 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.962 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.772 ' CD2' HD11 ' A' ' 38' ' ' ILE . 51.3 mt -65.56 -45.96 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.997 0.427 . . . . 0.0 110.982 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.261 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -87.86 -38.33 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.961 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 2.6 m-85 -109.93 -46.86 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 111.666 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 t30 64.8 42.93 4.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.102 0.477 . . . . 0.0 110.606 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.573 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.3 mt -152.82 116.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.116 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 38' ' ' ILE . 54.4 mt-10 -43.95 -46.56 8.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.081 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -57.73 -53.82 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 59.6 m-20 -59.66 -40.27 87.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.935 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.772 HD11 ' CD2' ' A' ' 29' ' ' LEU . 72.5 mt -48.11 -52.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.127 0.489 . . . . 0.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.659 ' HB1' ' CB ' ' A' ' 56' ' ' CYS . . . -68.2 -30.57 69.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.214 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 -59.88 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.931 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.614 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -66.13 -46.97 75.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.87 HD11 ' HA ' ' A' ' 25' ' ' ALA . 54.0 mt -59.49 -38.82 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 25.4 ttpp -60.23 -56.14 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.742 0.306 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.76 -42.16 99.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.83 -49.09 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CE1' HG23 ' A' ' 42' ' ' ILE . 6.0 m-85 -68.22 -42.18 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -58.86 -38.13 78.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.027 0.442 . . . . 0.0 110.706 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -69.19 -46.8 66.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.392 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -80.68 -70.1 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.6 m-30 -71.64 -14.45 62.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.93 143.05 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.552 0 C-N-CA 122.852 0.461 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 55.7 Cg_endo -69.62 169.24 19.2 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.55 2.167 . . . . 0.0 113.061 -179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.662 ' OG1' HG21 ' B' ' 67' ' ' THR . 14.8 t -115.7 126.47 54.14 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.582 0.353 . . . . 0.0 111.053 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.627 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.2 m95 -95.52 133.06 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 112.39 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.592 ' CD2' HG13 ' B' ' 66' ' ' VAL . 20.9 m80 -101.38 126.76 48.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.802 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.787 ' C ' HD12 ' A' ' 57' ' ' ILE . 73.6 m -117.77 142.19 47.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.219 0.533 . . . . 0.0 111.784 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.787 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.8 mp -143.44 143.98 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.138 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 35' ' ' GLU . 46.8 t -157.18 134.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.06 0.457 . . . . 0.0 110.833 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.95 -135.41 2.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.531 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.606 ' O ' ' HB3' ' A' ' 61' ' ' ASN . 39.5 ptt180 -174.81 29.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.616 ' HA ' HG12 ' C' ' 8' ' ' VAL . 10.9 p-10 161.27 85.8 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.631 ' HE2' HG21 ' A' ' 57' ' ' ILE . 4.1 p90 -168.66 138.56 2.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.597 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.9 135.74 16.19 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.5 t -128.92 146.77 50.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.762 0.781 . . . . 0.0 112.861 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.463 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 24.3 t80 -153.07 123.4 7.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.937 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.591 HG12 ' N ' ' A' ' 67' ' ' THR . 47.1 t -158.03 165.52 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.509 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 66' ' ' VAL . 92.1 m -110.38 151.83 26.99 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.45 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 27.4 p80 -164.22 148.09 9.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.132 0.491 . . . . 0.0 112.22 -178.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.16 144.0 57.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.803 HG23 ' N ' ' C' ' 1' ' ' MET . 58.2 p -55.84 148.98 15.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.685 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 62.79 37.59 12.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.796 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' HB3' ' HG3' ' A' ' 87' ' ' LYS . 66.0 m80 -156.13 49.87 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.938 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.767 ' HE1' HD11 ' A' ' 84' ' ' LEU . 29.3 t80 -144.96 143.14 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.988 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.755 ' O ' HD12 ' A' ' 84' ' ' LEU . 12.2 tt -161.19 139.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.323 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.486 ' OH ' HG22 ' C' ' 8' ' ' VAL . 41.0 t80 -143.28 134.43 25.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.65 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.991 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -167.71 138.14 2.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.848 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 7.0 m-85 -85.69 145.05 27.47 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.914 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.053 HD22 ' HB2' ' A' ' 6' ' ' ALA . 52.9 tp -170.19 145.37 2.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.55 39.74 75.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 54.18 38.27 28.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 110.809 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 78' ' ' LEU . 27.7 m -156.93 131.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.13 132.27 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.437 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.3 mt -116.82 131.81 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.767 HD11 ' HE1' ' A' ' 73' ' ' PHE . 55.7 tp -137.83 143.63 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.6 HD13 ' SG ' ' A' ' 56' ' ' CYS . 56.6 tp -154.9 143.47 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.58 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.2 p90 -179.89 130.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -100.09 170.62 8.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.204 0.526 . . . . 0.0 111.82 -178.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.04 -179.817 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.587 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -93.08 136.74 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 120.916 0.389 . . . . 0.0 111.669 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' B' ' 11' ' ' ALA . 8.5 tp -82.4 143.35 12.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.1 mmmt -112.3 -40.43 4.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -123.18 -51.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' B' ' 8' ' ' ILE . . . 63.34 129.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.704 0.288 . . . . 0.0 110.666 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -178.94 64.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.042 0.448 . . . . 0.0 110.594 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.412 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 50.3 ttm -177.21 153.48 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.616 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.4 m -42.73 140.5 1.3 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 111.637 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 95.0 mt-10 -50.2 -49.42 52.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.867 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 24.6 pt-20 -58.2 -43.58 87.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.534 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.419 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 60.7 mtt -65.09 -45.74 83.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.172 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.86 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.9 pt20 -66.73 -38.87 87.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.383 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 14.4 pt20 -72.6 -37.28 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.286 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.3 t70 -70.11 -35.61 74.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -45.03 75.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.86 HG23 ' O ' ' B' ' 18' ' ' GLN . 60.2 t -63.68 -46.71 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.322 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.59 -42.77 86.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.079 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -62.51 -34.07 76.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.901 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 1.04 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -69.88 -38.54 76.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.182 0.515 . . . . 0.0 109.948 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -62.53 -47.17 85.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.405 ' HB3' ' NZ ' ' B' ' 31' ' ' LYS . 84.7 mt-30 -59.74 -40.11 87.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.284 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' B' ' 41' ' ' HIS . . . -58.01 -46.25 85.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.766 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 1.025 HD21 HD11 ' B' ' 38' ' ' ILE . 46.3 mt -58.24 -42.81 87.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 110.574 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.497 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 62.6 mttp -81.16 -46.82 14.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.68 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.424 ' CD2' ' OD2' ' B' ' 37' ' ' ASP . 84.2 m-85 -120.79 -39.72 2.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.655 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 29' ' ' LEU . 49.5 t30 67.74 47.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.486 . . . . 0.0 110.023 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.455 ' O ' HG13 ' B' ' 38' ' ' ILE . 61.6 mt -143.67 133.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.606 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.685 ' CD ' HG12 ' B' ' 58' ' ' VAL . 3.4 mm-40 -46.39 -51.02 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.45 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -57.07 -56.55 20.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.657 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.424 ' OD2' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -52.82 -43.21 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.31 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 1.025 HD11 HD21 ' B' ' 29' ' ' LEU . 82.0 mt -48.19 -43.36 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.962 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 65' ' ' TYR . . . -63.07 -34.08 76.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.242 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.95 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.497 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 60.5 m-70 -64.49 -58.48 6.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.09 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 1.04 HD11 ' HB2' ' B' ' 25' ' ' ALA . 60.2 mt -64.61 -43.86 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.46 ' HD3' ' C ' ' B' ' 43' ' ' LYS . 1.1 tmtp? -64.04 -56.64 13.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.21 -51.31 69.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.2 mm-40 -55.08 -47.05 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.34 . . . . 0.0 111.585 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.6 m-85 -73.31 -41.22 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 0.8 OUTLIER -59.97 -39.36 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -70.51 -43.89 68.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -82.29 -66.55 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.9 m-30 -73.42 -16.05 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 60.8 m-20 92.32 140.87 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 122.813 0.445 . . . . 0.0 110.709 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.43 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 39.4 Cg_endo -66.67 171.08 11.36 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.555 2.17 . . . . 0.0 112.825 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.43 ' HA ' ' CB ' ' B' ' 52' ' ' PRO . 12.2 t -115.67 123.98 49.73 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.732 0.413 . . . . 0.0 110.915 0.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.661 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.1 m95 -91.6 126.82 36.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.494 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 28.5 m-70 -95.61 136.58 35.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.96 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.723 ' O ' HD13 ' B' ' 57' ' ' ILE . 50.0 t -142.38 142.63 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.51 0.671 . . . . 0.0 112.453 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.723 HD13 ' O ' ' B' ' 56' ' ' CYS . 34.3 mm -144.23 146.06 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.261 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.685 HG12 ' CD ' ' B' ' 35' ' ' GLU . 48.5 t -154.96 138.17 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.867 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.64 -141.17 4.84 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.76 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 76.3 mtp180 -154.21 27.3 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 36.4 t30 164.68 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 122.684 0.394 . . . . 0.0 110.116 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.494 ' CE2' ' CG2' ' B' ' 57' ' ' ILE . 3.3 p90 -156.18 130.75 8.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.133 0.492 . . . . 0.0 111.693 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -110.98 137.67 14.46 Favored Glycine 0 C--O 1.229 -0.2 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.63 ' HB3' HG23 ' A' ' 57' ' ' ILE . 78.1 p -163.39 167.84 21.16 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' D' ' 4' ' ' THR . 11.2 m-85 -130.86 145.78 52.1 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.132 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 21.6 t -158.28 161.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.837 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.662 HG21 ' OG1' ' A' ' 53' ' ' THR . 8.9 t -112.45 156.31 22.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -167.78 146.69 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -62.03 148.2 44.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.007 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 76.3 p -54.74 151.7 8.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.605 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.9 mmpt? 61.01 39.38 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.32 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.429 ' CE1' ' HD3' ' B' ' 87' ' ' LYS . 90.9 m-70 -157.47 69.59 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.583 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 42.1 t80 -163.77 138.32 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.514 HG22 ' O ' ' B' ' 85' ' ' LEU . 11.4 tt -161.19 138.2 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.0 111.668 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.563 ' O ' HD12 ' B' ' 8' ' ' ILE . 3.9 t80 -141.48 137.82 32.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.436 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.739 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.3 p90 -170.3 142.42 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.941 0.4 . . . . 0.0 112.024 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.405 ' CD1' ' HD3' ' B' ' 9' ' ' LYS . 42.7 m-85 -79.67 148.81 31.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.644 ' O ' HG22 ' B' ' 81' ' ' VAL . 40.2 tp -165.92 138.87 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.47 40.51 69.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.353 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 57.14 37.77 28.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.785 0.326 . . . . 0.0 110.928 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.644 HG22 ' O ' ' B' ' 78' ' ' LEU . 33.5 m -156.4 137.33 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.459 ' HB3' ' HE1' ' B' ' 62' ' ' PHE . . . -73.54 132.72 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.402 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.18 142.19 35.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.553 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.443 HD13 ' HD2' ' B' ' 75' ' ' TYR . 58.2 tp -138.87 137.33 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.147 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.9 HD22 HG21 ' B' ' 42' ' ' ILE . 50.8 tp -152.23 138.52 18.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -177.89 124.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.661 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.1 ptmm? -87.05 170.39 11.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.29 0.567 . . . . 0.0 112.337 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 48.2 m -154.58 131.11 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.632 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.508 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.803 ' N ' HG23 ' A' ' 70' ' ' THR . 66.8 mtm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.823 0.344 . . . . 0.0 111.356 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 2' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 65.4 mttp -157.3 137.62 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.185 0.517 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 46.0 p-10 -87.37 124.37 33.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.17 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 66' ' ' VAL . 24.1 m -76.14 148.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.276 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.57 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -158.68 127.61 1.89 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.397 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.949 HD13 HG23 ' C' ' 8' ' ' VAL . 2.7 pp -160.29 140.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.063 0.459 . . . . 0.0 111.348 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -103.93 83.94 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.641 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.949 HG23 HD13 ' C' ' 6' ' ' ILE . 58.6 t . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.652 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 1.8 p30 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.163 0.506 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.487 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.7 t -74.64 148.55 40.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.627 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -149.9 129.28 2.94 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.843 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -160.24 138.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 0.0 111.775 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.485 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 10.1 pt20 -117.79 80.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.13 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.541 HG22 ' OH ' ' B' ' 75' ' ' TYR . 29.0 t -69.58 141.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.928 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.2 m -87.41 139.05 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.432 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.646 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -84.13 117.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.212 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -76.14 -46.03 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.573 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -159.7 107.22 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.724 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.48 148.22 27.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.511 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 9.8 t70 -165.87 59.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.6 ptp 179.38 -163.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -68.39 137.28 54.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.856 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -56.91 -43.83 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.67 -44.24 93.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.01 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.01 -43.58 86.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.947 0.403 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.709 ' O ' HG23 ' A' ' 22' ' ' VAL . 62.8 mt-30 -59.42 -45.77 90.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.98 -44.43 96.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.917 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.77 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -67.73 -44.01 78.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.171 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 18' ' ' GLN . 59.8 t -65.8 -45.57 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.544 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.43 -41.59 84.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.218 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.66 -34.19 77.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.042 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.961 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.42 -40.5 73.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 109.787 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.6 m -57.38 -45.27 84.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.061 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.589 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 85.0 mt-30 -60.53 -44.56 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.476 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -50.46 -40.31 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.981 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.806 HD23 HD11 ' A' ' 38' ' ' ILE . 61.8 mt -65.33 -51.54 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.0 -29.28 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 11.5 mptt -82.04 -32.25 30.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.931 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -133.71 -43.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.008 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.539 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER 66.53 49.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 -179.569 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.582 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.2 mt -149.45 114.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.183 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' OE2' ' HA2' ' A' ' 59' ' ' GLY . 50.6 mt-10 -43.45 -49.25 7.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.764 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.482 ' HD3' ' HB3' ' D' ' 7' ' ' GLN . 33.8 ttpt -56.88 -56.94 15.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' OD2' HD12 ' A' ' 34' ' ' ILE . 59.5 m-20 -58.26 -43.73 88.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.056 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.806 HD11 HD23 ' A' ' 29' ' ' LEU . 85.1 mt -47.98 -53.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 111.383 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -64.63 -34.63 78.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -67.19 -60.32 2.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.571 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.507 -178.853 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.961 HD11 ' HA ' ' A' ' 25' ' ' ALA . 77.7 mt -58.56 -54.52 32.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HD3' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.83 -32.78 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.201 -179.466 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.664 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 59.0 mtpt -65.82 -47.1 76.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.492 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -61.3 -42.73 99.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.798 0.332 . . . . 0.0 110.969 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.451 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 10.0 m-85 -71.11 -42.41 69.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.664 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.2 p30 -64.4 -31.78 73.13 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -73.81 -40.46 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.134 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -82.68 -50.82 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.533 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.8 m-85 -88.37 -15.34 35.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 40.4 t30 94.13 134.32 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 122.849 0.459 . . . . 0.0 110.343 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 15.8 Cg_endo -56.83 167.59 2.93 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.723 2.282 . . . . 0.0 112.797 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.2 t -114.73 134.62 54.95 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.741 0.416 . . . . 0.0 111.012 0.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.585 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 32.0 m95 -101.16 128.97 47.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 112.451 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.469 ' CE1' HG23 ' A' ' 53' ' ' THR . 16.1 m-70 -104.06 136.87 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 38.6 t -144.12 152.43 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.418 HD11 HD11 ' B' ' 57' ' ' ILE . 58.6 mt -148.19 150.51 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.976 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -154.94 132.18 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.997 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.424 ' HA2' ' OE2' ' A' ' 35' ' ' GLU . . . -178.16 -133.03 1.8 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.315 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 8.3 ptm180 -176.36 41.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 41.4 t30 157.71 85.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.706 ' CZ ' HG21 ' C' ' 8' ' ' VAL . 18.4 p90 -172.72 139.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.314 0.578 . . . . 0.0 112.495 -178.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.506 ' O ' HG23 ' B' ' 57' ' ' ILE . . . -88.73 132.87 11.47 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.3 m -125.66 142.26 51.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.451 0.626 . . . . 0.0 112.605 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -149.0 121.79 8.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.845 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' C' ' 4' ' ' THR . 25.2 t -158.82 163.85 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.853 -177.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 44.1 p -95.63 165.39 12.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 10.9 p-80 -167.66 143.67 4.06 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.7 144.95 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.504 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 73.0 p -53.84 147.45 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.618 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 74.2 mmtt 61.29 36.61 17.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.472 ' CE1' ' CE ' ' A' ' 87' ' ' LYS . 83.0 m-70 -155.06 54.56 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.326 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.511 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.4 t80 -145.9 137.05 24.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.393 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.676 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.9 tt -160.45 141.2 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 121.071 0.462 . . . . 0.0 111.704 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.735 ' HD2' HD13 ' A' ' 84' ' ' LEU . 3.8 t80 -145.68 141.01 27.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.814 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.709 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -169.18 138.81 2.13 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.047 0.451 . . . . 0.0 112.148 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.19 154.25 20.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.356 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 6' ' ' ALA . 34.5 tp -154.97 131.03 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.015 0.436 . . . . 0.0 111.498 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 80' ' ' GLN . . . 65.5 -81.56 0.08 OUTLIER Glycine 0 CA--C 1.504 -0.627 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 79' ' ' GLY . 77.9 mt-30 -162.5 40.94 0.12 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.934 0.397 . . . . 0.0 110.114 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.38 133.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.194 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.66 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -76.38 137.77 40.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.463 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.7 mt -122.12 142.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.735 HD13 ' HD2' ' A' ' 75' ' ' TYR . 46.5 tp -143.49 139.35 29.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 74' ' ' ILE . 60.0 tp -152.26 141.57 21.5 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 68' ' ' HIS . 27.9 p90 -177.11 132.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.76 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.8 pttt -97.12 170.4 9.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.796 -179.856 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.688 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.769 0.319 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.6 m -95.2 136.24 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 120.946 0.403 . . . . 0.0 111.384 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -88.5 130.27 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.402 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LYS . . . . . 0.433 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.4 mmmt -86.63 -37.81 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.026 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -172.19 72.0 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.288 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -55.3 148.49 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.184 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.5 t70 -165.09 62.75 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.936 0.398 . . . . 0.0 111.343 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.494 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 21.2 ptm -178.13 -169.56 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' B' ' 17' ' ' MET . 59.5 m -64.33 141.27 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -59.16 -43.31 92.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.298 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.46 -37.96 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.068 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.494 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 65.3 mtt -66.42 -49.52 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.743 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.785 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.2 pt20 -66.36 -40.42 89.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.695 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -70.8 -37.45 73.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.431 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -70.75 -33.56 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.276 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -68.76 -46.44 68.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.896 HG22 ' CZ ' ' B' ' 76' ' ' PHE . 60.5 t -60.7 -47.02 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.276 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.98 -46.56 77.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.111 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.33 -32.95 74.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.759 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.908 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -67.28 -37.86 84.13 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 109.671 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -62.34 -46.41 88.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -57.54 -44.63 85.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.513 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' B' ' 38' ' ' ILE . . . -56.37 -44.82 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.931 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 1.035 HD21 HD11 ' B' ' 38' ' ' ILE . 60.9 mt -58.12 -43.64 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.0 -31.2 71.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -80.36 -39.56 28.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.575 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 56.4 m-85 -127.71 -42.75 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' B' ' 33' ' ' ASN . 0.3 OUTLIER 70.23 50.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 -179.257 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.437 ' O ' HG13 ' B' ' 38' ' ' ILE . 50.1 mt -147.62 131.4 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.523 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.406 ' HA ' HG11 ' B' ' 58' ' ' VAL . 10.8 pt-20 -46.6 -46.89 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.879 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.98 -57.2 13.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 111.304 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASP . . . . . 0.439 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -53.43 -43.02 67.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 1.035 HD11 HD21 ' B' ' 29' ' ' LEU . 75.2 mt -48.52 -40.6 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.98 77.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.096 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -49.78 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.544 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -63.85 -54.43 35.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.08 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' B' ' 25' ' ' ALA . 58.1 mt -58.55 -50.01 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.532 ' C ' ' HD2' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -61.62 -55.25 32.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -57.91 -45.6 86.26 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -56.16 -47.11 78.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.578 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 38.0 m-85 -71.19 -45.04 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -31.89 66.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 0.0 110.76 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.54 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 4.3 tmtt? -76.58 -41.82 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.042 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -85.66 -57.48 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.1 m-85 -84.51 -21.24 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.9 m-20 93.6 142.48 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 122.644 0.378 . . . . 0.0 110.281 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 47.4 Cg_exo -56.21 168.83 1.78 Allowed 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.546 2.164 . . . . 0.0 113.123 -178.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.444 ' OG1' HG21 ' A' ' 67' ' ' THR . 15.2 t -118.51 120.08 36.45 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 111.34 0.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.613 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 22.4 m95 -94.26 135.92 35.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.927 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.494 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 20.8 m-70 -111.13 139.43 46.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.1 t -140.61 154.21 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.415 0.626 . . . . 0.0 112.599 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.571 HD12 HD23 ' B' ' 84' ' ' LEU . 53.6 mt -149.23 143.24 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.452 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.469 HG11 HD12 ' B' ' 38' ' ' ILE . 49.0 t -144.31 133.25 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 111.499 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' B' ' 60' ' ' ARG . . . 169.57 -135.12 3.43 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.879 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' B' ' 60' ' ' ARG . 52.3 ttm-85 175.04 46.94 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 110.925 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 38.7 t30 172.23 70.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.359 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 19.9 p90 -168.11 143.63 3.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.13 135.44 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.4 m -136.91 147.23 46.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 118.102 0.951 . . . . 0.0 113.268 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -146.06 128.6 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.397 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.591 HG12 ' N ' ' B' ' 67' ' ' THR . 32.8 t -156.38 168.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.157 -177.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.7 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.3 m -108.65 150.37 27.63 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.527 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.6 p80 -161.75 143.63 11.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.273 0.559 . . . . 0.0 112.29 -178.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.16 149.63 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.931 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.9 p -53.03 152.74 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.383 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.2 mmtp 62.2 40.35 11.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.345 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 92.6 m-70 -158.29 69.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.745 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.49 ' HB3' ' HB3' ' B' ' 12' ' ' ASP . 2.1 t80 -153.07 129.4 10.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.679 HD12 ' CB ' ' B' ' 18' ' ' GLN . 10.5 tt -158.99 145.58 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.357 0.599 . . . . 0.0 111.966 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' TYR . . . . . 0.647 ' HD2' HD13 ' B' ' 84' ' ' LEU . 3.8 t80 -156.79 133.89 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.09 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.896 ' CZ ' HG22 ' B' ' 22' ' ' VAL . 8.5 p90 -165.39 140.0 4.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 112.183 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.972 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 46.9 m-85 -77.27 144.16 38.37 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.893 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' B' ' 6' ' ' ALA . 50.4 tp -170.19 140.69 1.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.87 39.82 79.16 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' B' ' 80' ' ' GLN . 0.4 OUTLIER 58.04 35.33 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.654 0.264 . . . . 0.0 111.118 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.471 HG13 ' O ' ' B' ' 80' ' ' GLN . 27.8 m -159.89 128.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.139 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.972 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -70.55 133.14 46.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.298 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.711 HD12 ' HE1' ' B' ' 76' ' ' PHE . 56.8 mt -110.4 138.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' B' ' 75' ' ' TYR . 58.4 tp -129.86 140.56 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.512 ' O ' HG22 ' B' ' 74' ' ' ILE . 61.2 tp -156.33 145.12 20.2 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 17.6 p90 178.05 129.16 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.613 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -99.9 170.44 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.159 0.504 . . . . 0.0 112.009 -178.689 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 88' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' B' ' 68' ' ' HIS . 25.4 m -145.83 137.79 25.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.896 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.64 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mmm . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -156.79 122.8 4.87 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.679 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.5 p30 -170.21 127.82 0.85 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.502 0.667 . . . . 0.0 112.406 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.627 HG21 HD21 ' A' ' 84' ' ' LEU . 28.7 m -71.82 142.37 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.306 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.566 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -151.29 123.61 1.54 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.849 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.902 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.8 pp -160.41 142.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.145 0.497 . . . . 0.0 112.092 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' C' ' 7' ' ' GLN . 18.6 pt20 -103.69 90.01 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.083 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.706 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 40.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 111.366 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.7 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 42.1 p30 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.162 0.506 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.55 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.8 t -71.35 148.09 47.37 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.328 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 5' ' ' GLY . . . . . 0.624 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -152.07 123.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.293 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.917 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -161.49 142.3 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 0.0 111.68 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.482 ' HB3' ' HD3' ' A' ' 36' ' ' LYS . 26.2 pt20 -116.23 131.3 56.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.746 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' B' ' 62' ' ' PHE . 81.9 t -131.15 137.55 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 34.8 t70 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.696 0.284 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 19.6 m -100.1 138.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -92.58 129.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.323 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 74.8 mmtt -106.04 -33.39 7.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.297 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -150.68 136.24 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.861 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.08 138.28 16.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 111.574 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -145.86 57.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.098 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.451 ' HE1' ' HB3' ' A' ' 17' ' ' MET . 21.6 ptm -163.12 160.8 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.873 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -43.5 141.31 1.44 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.785 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.77 -45.09 74.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.578 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.29 -43.24 96.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.451 ' HB3' ' HE1' ' A' ' 13' ' ' MET . 85.3 mtp -61.28 -51.48 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.656 ' CB ' HD12 ' A' ' 74' ' ' ILE . 13.5 pt20 -60.49 -38.17 83.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -65.13 -44.34 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 110.182 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.49 -34.3 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.199 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.544 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -65.25 -44.0 89.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 109.856 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 18' ' ' GLN . 60.7 t -66.28 -43.53 91.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.451 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -65.45 -46.32 80.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 21' ' ' SER . 27.6 p -68.74 -31.01 69.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' CB ' HD11 ' A' ' 42' ' ' ILE . . . -68.01 -38.25 82.38 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -62.61 -46.56 87.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.368 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -57.16 -44.68 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.496 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -56.59 -45.18 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.986 HD21 HD11 ' A' ' 38' ' ' ILE . 54.7 mt -57.84 -43.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -67.52 -30.56 70.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.397 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HD2' ' CE1' ' A' ' 41' ' ' HIS . 99.5 mttt -79.7 -36.37 37.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.556 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 59.3 m-85 -132.91 -42.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 68.52 49.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 0.0 110.569 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 38' ' ' ILE . 43.7 mt -143.33 142.77 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.678 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.51 ' HG2' ' HA2' ' A' ' 59' ' ' GLY . 4.9 mp0 -49.55 -55.05 14.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.729 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -58.96 -53.13 61.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.398 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.427 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.3 m-20 -50.51 -44.22 56.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.678 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.986 HD11 HD21 ' A' ' 29' ' ' LEU . 75.4 mt -52.53 -41.84 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.75 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -64.03 -34.67 78.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.202 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.24 72.76 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.879 0.371 . . . . 0.0 111.395 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 76.5 m-70 -66.31 -55.92 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.566 HD11 ' CB ' ' A' ' 25' ' ' ALA . 60.3 mt -55.71 -51.13 62.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.066 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -59.65 -52.09 67.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.842 -178.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 68.0 mttm -63.78 -51.34 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 24' ' ' CYS . 93.6 mt-10 -52.13 -46.56 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.414 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.683 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 38.8 m-85 -75.41 -46.89 30.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.649 0.261 . . . . 0.0 111.343 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 5.5 t70 -52.54 -36.92 56.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 110.777 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -85.82 -42.0 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -75.25 -61.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.508 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.6 m-85 -84.1 -17.63 39.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.203 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.65 148.19 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.431 0.457 . . . . 0.0 109.821 -179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.3 167.88 5.58 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 121.917 1.745 . . . . 0.0 112.138 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.4 t -116.29 126.99 54.32 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.915 0.486 . . . . 0.0 110.605 0.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.683 ' CE2' ' HB3' ' A' ' 46' ' ' PHE . 23.5 m95 -105.4 134.45 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 20.7 m-70 -110.26 139.61 45.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.188 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.5 t -137.74 151.92 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 112.199 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.484 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 59.1 mt -149.53 145.49 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.032 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 82' ' ' ALA . 51.3 t -156.17 138.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.936 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA2' ' HG2' ' A' ' 35' ' ' GLU . . . 179.29 -137.39 3.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.459 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 55.5 ttp180 -174.42 39.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.787 0.327 . . . . 0.0 110.783 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.627 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 24.1 t-20 157.92 83.34 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.957 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 21.4 p90 -173.16 136.08 0.62 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.2 0.524 . . . . 0.0 112.354 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -86.88 135.28 13.11 Favored Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.349 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.451 ' HB2' HD11 ' C' ' 6' ' ' ILE . 28.6 m -129.3 144.16 51.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.346 0.573 . . . . 0.0 112.239 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 11.9 t80 -145.2 126.55 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.021 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.621 HG12 ' N ' ' A' ' 67' ' ' THR . 39.9 t -157.95 168.53 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.51 -177.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.2 m -118.95 151.49 38.08 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 26.5 p80 -167.13 143.48 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 11.9 pt-20 -65.06 150.79 47.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.792 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.72 HG23 ' N ' ' C' ' 1' ' ' MET . 72.6 p -53.9 149.95 8.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.587 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.729 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 68.8 36.57 2.62 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.415 -179.553 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.436 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 60.6 m80 -158.37 65.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.589 ' HE1' HD11 ' A' ' 84' ' ' LEU . 37.1 t80 -164.17 140.37 6.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.85 ' O ' HD12 ' A' ' 84' ' ' LEU . 10.1 tt -161.43 138.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.151 0.501 . . . . 0.0 111.617 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -142.01 137.97 31.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.93 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 8.8 p90 -166.16 139.78 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.061 0.458 . . . . 0.0 112.027 -179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.487 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 61.8 m-85 -80.32 146.13 31.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.556 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 6' ' ' ALA . 47.8 tp -170.16 143.89 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 111.35 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.97 41.45 92.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.336 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 81' ' ' VAL . 70.3 mt-30 55.26 34.37 22.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.6 m -159.3 137.8 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.487 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -69.89 144.97 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 78' ' ' LEU . 59.1 mt -132.68 137.99 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 74' ' ' ILE . 63.0 tp -132.72 145.74 51.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.573 ' O ' HG22 ' A' ' 74' ' ' ILE . 60.6 tp -153.36 141.95 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.645 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 6.1 p90 179.46 130.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 54' ' ' TRP . 56.3 pttt -103.98 170.23 8.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.355 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.616 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.048 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.5 m -94.79 136.69 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.018 0.437 . . . . 0.0 111.416 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.63 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -86.29 136.66 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.264 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -117.09 -51.29 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -96.17 -79.87 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . 0.591 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . 58.2 131.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 112.157 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.44 ' OD2' ' HB3' ' B' ' 73' ' ' PHE . 12.4 p-10 -178.37 68.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.995 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' MET . . . . . 0.462 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 19.8 ptm -169.73 178.67 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.379 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.1 p -51.16 136.33 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -53.58 -40.92 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.928 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -60.44 -46.4 90.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.519 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' MET . . . . . 0.462 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 67.4 mtt -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.754 0.312 . . . . 0.0 111.236 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.843 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.4 pt20 -65.23 -37.53 87.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.886 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -70.88 -39.95 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.19 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -71.53 -35.41 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.546 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.4 p -67.76 -41.6 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.293 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 18' ' ' GLN . 93.3 t -64.42 -47.84 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -68.73 -42.6 77.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.059 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.12 -33.18 75.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.945 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ALA . . . . . 0.784 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.99 -39.06 76.14 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.162 0.505 . . . . 0.0 109.942 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.506 ' HA ' HD21 ' B' ' 78' ' ' LEU . 87.6 m -61.06 -46.35 91.04 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.507 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.74 -39.67 89.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.001 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -56.26 -45.65 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.22 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.819 ' CD2' HD11 ' B' ' 38' ' ' ILE . 52.3 mt -63.39 -47.11 83.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.71 -30.57 70.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.494 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -87.59 -36.07 17.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.51 -43.69 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 65.16 39.42 5.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 110.41 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.558 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.7 mt -152.41 128.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.486 ' HA ' HD12 ' B' ' 38' ' ' ILE . 24.1 pt-20 -49.48 -48.15 48.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.296 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 35' ' ' GLU . 17.3 ttpp -59.31 -56.21 24.96 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -52.86 -41.99 64.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.819 HD11 ' CD2' ' B' ' 29' ' ' LEU . 85.6 mt -51.42 -52.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.033 0.444 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -66.88 -30.33 70.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.591 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.472 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -66.36 -62.76 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -66.1 -43.1 88.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.879 -178.463 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.784 HD11 ' HA ' ' B' ' 25' ' ' ALA . 79.9 mt -60.99 -44.52 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 59.5 tttm -63.34 -53.55 50.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.702 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -58.66 -32.8 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.268 . . . . 0.0 111.459 -179.232 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' B' ' 44' ' ' LYS . 5.5 tp10 -66.99 -49.08 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.59 -39.1 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 17.6 m-20 -58.96 -41.44 87.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.048 0.451 . . . . 0.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -72.32 -42.22 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.665 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.45 -63.3 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' TYR . . . . . 0.556 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.3 m-85 -82.03 -12.72 58.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.1 m120 91.01 140.61 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 122.752 0.421 . . . . 0.0 110.479 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 41.8 Cg_endo -66.93 171.68 10.81 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.543 2.162 . . . . 0.0 112.963 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 53' ' ' THR . 11.1 t -116.7 117.27 29.34 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 122.777 0.431 . . . . 0.0 111.213 0.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' TRP . . . . . 0.682 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.6 m95 -88.02 119.85 28.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.914 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 29.0 m-70 -91.85 139.25 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' CYS . . . . . 0.411 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 47.9 t -140.39 148.64 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.391 0.615 . . . . 0.0 112.557 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' B' ' 62' ' ' PHE . 52.8 mt -149.67 144.53 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.684 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.401 HG13 ' O ' ' B' ' 82' ' ' ALA . 60.6 t -152.54 139.71 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 111.371 -179.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.86 -128.72 1.46 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.3 ptt180 -176.96 39.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.269 . . . . 0.0 111.426 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 41.1 t30 163.53 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.714 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' B' ' 57' ' ' ILE . 2.4 p90 -162.85 132.45 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -98.74 142.46 16.09 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 177.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -159.7 152.83 21.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.124 0.962 . . . . 0.0 113.279 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' TYR . . . . . 0.75 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 3.7 t80 -133.88 135.0 43.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.759 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.56 HG12 ' N ' ' B' ' 67' ' ' THR . 33.0 t -156.69 165.47 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' THR . . . . . 0.56 ' N ' HG12 ' B' ' 66' ' ' VAL . 59.2 m -112.17 155.43 23.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.461 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.4 p80 -165.56 147.72 7.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.262 0.553 . . . . 0.0 112.49 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.28 139.89 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.771 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -56.21 150.6 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.458 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.618 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 61.41 38.11 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -158.34 69.01 0.49 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.555 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.874 ' CE1' HD11 ' B' ' 84' ' ' LEU . 48.1 t80 -162.51 140.25 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.117 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.735 HD12 ' CB ' ' B' ' 18' ' ' GLN . 10.9 tt -157.2 137.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.337 0.589 . . . . 0.0 111.975 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -135.52 137.8 42.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.374 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 8.6 p90 -167.47 141.37 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.436 -0.505 . . . . 0.0 112.155 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 56.5 m-85 -77.31 149.9 35.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.245 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' B' ' 6' ' ' ALA . 41.0 tp -167.37 138.68 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 111.331 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLY . . . . . 0.422 ' HA3' HD13 ' B' ' 29' ' ' LEU . . . 53.93 39.95 63.96 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.37 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 81' ' ' VAL . 99.0 mm-40 58.41 37.89 25.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.852 0.358 . . . . 0.0 111.057 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 78' ' ' LEU . 31.3 m -158.72 136.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.722 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.401 ' O ' HG13 ' B' ' 58' ' ' VAL . . . -69.83 137.45 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' B' ' 78' ' ' LEU . 51.3 mt -127.12 140.24 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' LEU . . . . . 0.874 HD11 ' CE1' ' B' ' 73' ' ' PHE . 57.9 tp -137.47 141.82 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.991 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 52.7 tp -156.12 142.22 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.708 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.529 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.6 p90 -177.28 127.17 0.15 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.045 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -87.34 159.53 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.332 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.4 m -144.53 138.43 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.526 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.72 ' N ' HG23 ' A' ' 70' ' ' THR . 22.4 ptp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.682 0.277 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -153.16 136.03 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 111.263 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ASP . . . . . 0.687 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 40.5 p30 -70.3 127.8 34.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.875 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 4' ' ' THR . . . . . 0.52 HG22 ' HB ' ' A' ' 66' ' ' VAL . 11.6 t -75.55 135.95 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.085 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 5' ' ' GLY . . . . . 0.561 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -135.43 117.75 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.259 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.599 ' C ' HD12 ' C' ' 6' ' ' ILE . 2.5 pp -161.9 170.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 7' ' ' GLN . . . . . 0.414 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 3.0 pm0 -163.17 120.94 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 110.925 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' ' 60' ' ' ARG . 40.6 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 3' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' B' ' 65' ' ' TYR . 42.8 m-20 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.653 0.263 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 4' ' ' THR . . . . . 0.554 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.6 t -80.5 141.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.05 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.9 135.39 7.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.42 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -156.01 170.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 111.544 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 7' ' ' GLN . . . . . 0.522 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.9 pt20 -159.95 69.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.67 142.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 9' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' D' ' 9' ' ' ASP . 9.8 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.696 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.825 0.345 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -178.85 -44.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -59.91 141.2 55.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.788 ' CG ' HD11 ' A' ' 78' ' ' LEU . 3.4 tpm_? -170.22 134.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -62.73 -80.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.622 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.567 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 60.48 120.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.657 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -96.07 136.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 121.126 0.489 . . . . 0.0 111.93 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.665 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -95.66 146.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.675 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -137.33 -44.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.517 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.3 m120 -110.15 49.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.754 0.312 . . . . 0.0 111.305 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.634 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -57.87 124.99 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -161.55 52.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 ttm -170.01 157.52 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.3 m -43.1 140.82 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.48 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -52.88 -48.87 66.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.682 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.38 -43.08 88.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.23 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 66.5 mtt -60.8 -51.27 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.039 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.875 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.7 pt20 -62.37 -39.08 92.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.07 -41.0 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.54 -36.88 81.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.682 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.8 t -67.79 -44.22 77.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.006 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 18' ' ' GLN . 54.2 t -62.53 -47.49 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.86 -43.67 78.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.984 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.64 -32.32 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.386 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.744 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -68.73 -38.57 80.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.72 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -59.68 -47.73 84.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.93 -39.72 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.872 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.818 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -55.64 -45.42 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.128 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 38' ' ' ILE . 50.6 mt -61.67 -48.95 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.54 -32.74 74.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.466 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.69 -33.76 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.2 m-85 -123.98 -46.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.647 ' O ' HD13 ' A' ' 34' ' ' ILE . 49.8 t30 65.06 43.6 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.383 . . . . 0.0 110.626 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 33' ' ' ASN . 40.6 mm -148.07 131.0 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 24.2 pt-20 -52.66 -49.11 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.117 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 17.0 ttpp -66.26 -54.67 22.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.99 -48.23 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.44 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 29' ' ' LEU . 72.1 mt -53.67 -48.98 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.025 0.44 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -64.49 -32.1 73.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.32 14.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -62.83 -49.05 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -178.657 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.744 HD11 ' HA ' ' A' ' 25' ' ' ALA . 60.0 mt -60.88 -42.87 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.638 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -56.84 -52.32 65.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.905 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.87 -45.34 90.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' OE1' ' CE1' ' A' ' 41' ' ' HIS . 57.4 mt-10 -56.47 -48.07 77.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -65.45 -39.49 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' OD1' ' HD2' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -62.69 -38.57 90.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.995 0.426 . . . . 0.0 110.843 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.2 tmtt? -70.7 -40.0 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -82.78 -55.94 4.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -87.59 -18.28 30.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 42.8 t30 96.63 138.26 0.03 OUTLIER Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 123.381 0.425 . . . . 0.0 110.277 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 41.1 Cg_exo -56.72 166.59 3.62 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.797 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -120.42 123.46 43.08 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.829 0.452 . . . . 0.0 110.995 0.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 20.8 m95 -94.59 133.51 38.15 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.179 0.514 . . . . 0.0 111.955 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' ND1' HG13 ' B' ' 66' ' ' VAL . 21.2 m-70 -106.82 133.92 50.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.797 ' C ' HD12 ' A' ' 57' ' ' ILE . 48.3 t -135.25 139.57 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.444 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.83 HD13 HD23 ' A' ' 84' ' ' LEU . 2.6 mp -139.92 143.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.38 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -151.51 139.21 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.474 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.97 -131.28 2.0 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.167 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.4 ptt180 -178.35 37.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 111.367 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 170.62 79.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.205 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.622 ' CE2' HG21 ' A' ' 57' ' ' ILE . 3.4 p90 -168.28 133.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -96.71 143.43 16.73 Favored Glycine 0 N--CA 1.452 -0.243 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.587 ' HB3' HD13 ' B' ' 57' ' ' ILE . 21.6 m -160.61 154.44 22.62 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.403 ' HB3' ' HD2' ' B' ' 43' ' ' LYS . 6.9 m-85 -136.52 137.18 40.03 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 114.127 -1.397 . . . . 0.0 109.375 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.538 ' HB ' HG22 ' C' ' 4' ' ' THR . 7.1 t -155.78 159.12 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.589 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 86.1 m -108.85 155.15 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 22.5 p80 -167.63 146.54 4.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.314 0.578 . . . . 0.0 112.311 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.09 154.93 21.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.492 HG23 ' N ' ' C' ' 1' ' ' MET . 76.4 p -56.77 145.74 28.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.792 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 6.9 mmpt? 64.84 14.31 9.12 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.691 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 46.0 m170 -122.43 58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.39 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' HE1' HD11 ' A' ' 84' ' ' LEU . 23.3 t80 -158.45 139.69 13.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 0.0 111.558 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.617 HD12 ' CB ' ' A' ' 18' ' ' GLN . 9.5 tt -159.85 139.53 3.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.372 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.719 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 3.8 t80 -144.19 138.56 28.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.654 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.828 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.4 p90 -167.99 138.94 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.964 0.411 . . . . 0.0 111.487 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.448 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 7.7 m-85 -80.12 145.37 32.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.74 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.788 HD11 ' CG ' ' A' ' 4' ' ' ARG . 60.1 tp -170.24 145.29 2.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.281 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.13 40.71 84.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.394 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 81' ' ' VAL . 13.9 mp0 54.24 36.29 24.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 80' ' ' GLN . 29.6 m -158.44 134.4 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.719 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.89 130.59 42.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -112.77 138.28 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.83 HD23 HD13 ' A' ' 57' ' ' ILE . 61.9 tp -134.22 139.12 45.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 74' ' ' ILE . 57.9 tp -154.97 136.75 14.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.496 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.2 p90 -175.15 127.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.392 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.3 pttt -95.56 170.37 9.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.152 0.501 . . . . 0.0 111.814 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.9 t -150.1 136.35 18.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.795 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.529 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mmm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.743 0.306 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.85 136.03 57.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -157.98 133.77 9.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.488 ' NH1' ' HB2' ' B' ' 4' ' ' ARG . 0.1 OUTLIER 60.97 42.2 13.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.024 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -73.02 -134.32 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.286 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.779 ' N ' HD13 ' B' ' 78' ' ' LEU . . . 63.73 127.14 0.01 OUTLIER 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.753 0.311 . . . . 0.0 111.487 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.2 m -95.31 136.28 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 111.681 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.878 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -81.65 148.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.254 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -137.73 -41.23 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.352 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.451 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 33.4 m120 -126.34 52.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.878 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -58.17 137.01 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.321 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -178.71 62.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.5 ttm -175.81 158.97 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.727 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.1 m -44.69 140.76 2.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 50.4 mt-10 -51.53 -47.8 63.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.723 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.529 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.6 pt-20 -57.82 -44.51 86.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.561 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 61.2 mtt -63.98 -46.11 86.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.153 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.838 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.6 pt20 -66.76 -39.28 87.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 14.7 pt20 -72.9 -35.98 67.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.22 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.501 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.3 t0 -69.33 -37.04 77.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.556 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 59.7 m -67.72 -42.88 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.231 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.838 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.4 t -63.55 -47.2 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.655 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -68.34 -43.4 77.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.74 -34.96 78.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.894 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.881 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -71.02 -40.03 72.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.314 0.578 . . . . 0.0 109.538 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -58.86 -45.93 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.275 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.621 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 99.1 mm-40 -59.18 -48.02 83.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.608 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.522 ' HA ' ' CE ' ' B' ' 31' ' ' LYS . . . -46.95 -43.85 19.48 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.999 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.91 ' CD2' HD11 ' B' ' 38' ' ' ILE . 50.8 mt -65.16 -42.21 93.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.8 -37.32 85.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.775 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' B' ' 27' ' ' GLN . 44.3 pttt -86.56 -34.77 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.671 ' CD1' ' CE1' ' B' ' 41' ' ' HIS . 55.5 m-85 -118.26 -45.6 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.999 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 49.6 t30 65.57 43.53 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.904 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.516 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -147.97 121.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.62 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.4 OUTLIER -44.34 -44.85 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.06 -179.364 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.515 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.4 ttpm? -59.16 -56.13 26.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 111.226 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.68 ' HB3' ' CE1' ' B' ' 41' ' ' HIS . 55.3 m-20 -61.61 -39.48 91.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.721 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.91 HD11 ' CD2' ' B' ' 29' ' ' LEU . 95.9 mt -47.45 -49.14 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 111.225 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.591 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.43 89.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 0.0 111.623 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.68 ' CE1' ' HB3' ' B' ' 37' ' ' ASP . 4.4 m80 -64.19 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.34 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.881 HD11 ' HA ' ' B' ' 25' ' ' ALA . 63.7 mt -59.01 -36.61 63.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.623 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.403 ' HD2' ' HB3' ' A' ' 65' ' ' TYR . 60.8 tttm -60.84 -59.46 5.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.81 -41.3 87.74 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 51.6 mm-40 -54.64 -48.46 72.24 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -72.69 -45.01 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -32.76 67.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 110.623 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.531 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -75.77 -46.11 32.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.1 -59.04 2.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.0 m-85 -84.51 -13.39 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 4.8 m120 88.83 141.21 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.388 0 C-N-CA 122.546 0.339 . . . . 0.0 110.134 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.452 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -60.01 172.67 2.2 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.428 2.086 . . . . 0.0 112.736 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.851 HG22 ' O ' ' B' ' 88' ' ' SER . 9.9 t -117.18 112.33 20.69 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 122.881 0.472 . . . . 0.0 111.301 0.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.726 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.4 m95 -88.58 122.88 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.033 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' B' ' 85' ' ' LEU . 32.4 m-70 -96.6 140.05 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.509 ' O ' HD13 ' B' ' 57' ' ' ILE . 42.2 t -136.69 144.23 43.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.472 0.653 . . . . 0.0 112.501 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.587 HD13 ' HB3' ' A' ' 64' ' ' SER . 31.3 mm -137.59 141.8 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.587 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.496 HG12 ' HB2' ' B' ' 35' ' ' GLU . 47.2 t -154.59 135.44 4.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.857 0.36 . . . . 0.0 111.457 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.57 -142.74 6.29 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.838 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 63.1 mtm-85 -160.48 28.7 0.16 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.543 0.211 . . . . 0.0 111.46 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 35.0 t30 167.33 82.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.523 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 28.3 p90 -165.51 136.88 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.59 137.4 14.07 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.8 m -137.42 148.88 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.719 0.759 . . . . 0.0 112.729 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 2.4 t80 -148.23 131.78 16.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.253 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.601 HG12 ' N ' ' B' ' 67' ' ' THR . 45.2 t -158.68 165.82 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.12 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.601 ' N ' HG12 ' B' ' 66' ' ' VAL . 93.1 m -116.39 150.35 37.9 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 25.5 p80 -166.06 142.37 5.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 112.038 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.36 154.56 35.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.791 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 42.5 p -57.77 152.68 15.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.794 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 43.9 mmtm 65.87 38.3 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.214 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 83.2 m-70 -164.82 69.55 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.05 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.533 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 1.9 t80 -165.45 125.35 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.396 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.683 ' O ' HD12 ' B' ' 84' ' ' LEU . 13.4 tt -150.81 141.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.2 0.524 . . . . 0.0 111.543 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.658 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 48.9 t80 -147.17 139.14 24.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.65 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' B' ' 22' ' ' VAL . 8.4 p90 -167.06 139.07 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.065 0.459 . . . . 0.0 111.756 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 8.1 m-85 -82.58 148.25 28.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.433 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.779 HD13 ' N ' ' B' ' 6' ' ' ALA . 57.2 tp -169.92 143.92 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.324 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.83 41.41 83.53 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.566 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.534 ' HG3' HD13 ' D' ' 12' ' ' LEU . 50.9 tt0 56.24 35.71 26.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.581 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.49 ' O ' HD12 ' B' ' 83' ' ' ILE . 29.0 m -158.01 132.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.658 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -76.58 137.56 39.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.49 HD12 ' O ' ' B' ' 81' ' ' VAL . 4.4 mp -125.09 140.64 47.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.648 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.683 HD12 ' O ' ' B' ' 74' ' ' ILE . 63.8 tp -132.32 144.36 50.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.672 HD22 HG21 ' B' ' 42' ' ' ILE . 56.7 tp -159.27 138.53 11.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.533 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.6 p90 -177.4 129.74 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.203 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.726 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.7 ptpt -78.98 162.65 25.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.4 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.851 ' O ' HG22 ' B' ' 53' ' ' THR . 51.0 m -143.51 134.38 25.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.94 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.527 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.492 ' N ' HG23 ' A' ' 70' ' ' THR . 66.6 mtm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -155.03 135.7 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.532 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -78.74 121.52 24.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.04 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 66' ' ' VAL . 14.5 t -72.41 142.79 48.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.105 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.65 135.11 7.51 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 pt -154.43 170.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 111.577 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.519 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 21.9 pt20 -163.52 69.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.168 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' A' ' 60' ' ' ARG . 58.8 t -69.62 133.03 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.462 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.792 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.683 ' HD3' HD21 ' C' ' 12' ' ' LEU . 15.5 ptp180 -130.91 132.4 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.046 0.45 . . . . 0.0 111.444 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.77 58.69 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.067 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.683 HD21 ' HD3' ' C' ' 10' ' ' ARG . 87.4 mt -40.69 -39.36 1.06 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.503 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.15 134.01 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' C' ' 17' ' ' HIS . . . 177.4 -137.87 3.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.05 -48.27 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 110.525 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -71.45 -31.56 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.98 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' C' ' 14' ' ' GLY . 93.2 m-70 67.85 133.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.836 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.718 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.523 ' HB3' HG22 ' B' ' 67' ' ' THR . 68.1 mtm . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.88 0.372 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -86.7 131.89 34.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.513 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.0 p-10 -81.96 118.22 22.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.472 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.587 HG22 ' HB ' ' B' ' 66' ' ' VAL . 15.2 t -76.72 140.09 40.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.92 135.73 7.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.546 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.4 pt -156.1 170.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -159.14 74.97 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.577 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.0 t -69.28 144.7 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.9 p30 -178.93 43.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.62 ' CZ ' HD11 ' D' ' 12' ' ' LEU . 76.5 mtp180 -67.28 131.28 45.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.5 48.81 1.68 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.06 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.62 HD11 ' CZ ' ' D' ' 10' ' ' ARG . 87.6 mt -78.17 50.1 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.518 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.45 -52.31 27.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.92 0.39 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.35 -141.67 16.41 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.587 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.477 ' HB2' ' NZ ' ' D' ' 15' ' ' LYS . 10.4 mtmp? -72.11 -49.0 39.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.43 . . . . 0.0 110.541 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 95.3 p -67.57 -133.63 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.476 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -172.58 131.25 0.56 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.75 0.31 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.895 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 tpp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.73 0.3 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -176.42 145.06 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.299 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p30 48.25 54.25 10.58 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.203 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -79.71 48.45 0.94 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -67.23 -32.85 74.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.896 0.379 . . . . 0.0 110.961 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.807 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -48.61 124.97 9.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.825 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.538 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -88.7 137.92 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.116 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.897 HG12 ' HB2' ' A' ' 11' ' ' ALA . 9.2 tp -84.17 141.65 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.594 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.757 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -117.17 -32.08 5.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.555 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -155.03 59.73 0.66 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.452 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.897 ' HB2' HG12 ' A' ' 8' ' ' ILE . . . -56.62 142.15 40.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.356 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -175.47 52.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.652 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.491 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 97.4 mtp -156.02 145.19 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.688 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -46.06 147.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.21 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.72 -39.5 2.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.46 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.51 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.5 pt-20 -69.48 -44.42 71.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.022 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.491 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 66.0 mtt -62.05 -47.82 83.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.423 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.808 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.6 pt20 -63.86 -38.53 91.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.532 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.51 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 19.0 pt20 -71.21 -40.78 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.676 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -37.45 83.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.828 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.491 ' OG ' HD23 ' A' ' 85' ' ' LEU . 47.6 t -67.92 -45.44 74.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.898 0.38 . . . . 0.0 110.264 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.9 t -65.51 -44.98 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.561 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.38 -34.05 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.885 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.08 -38.65 75.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 109.922 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.6 m -60.92 -45.13 95.88 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.18 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 85.9 mt-30 -59.37 -45.2 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.175 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -54.42 -42.77 70.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.206 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.863 ' CD2' HD11 ' A' ' 38' ' ' ILE . 48.6 mt -61.67 -48.1 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.609 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 10.5 pt-20 -67.42 -28.29 67.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.101 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.701 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.01 -21.16 27.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.701 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 25.9 m-85 -145.51 -45.64 0.21 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.543 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 32' ' ' TYR . 49.6 t30 68.99 45.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 38' ' ' ILE . 54.8 mt -137.16 126.01 35.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.625 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -45.06 -47.56 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.082 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -68.06 -52.84 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 111.253 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.644 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . 1.3 m-20 -56.19 -41.91 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.39 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.863 HD11 ' CD2' ' A' ' 29' ' ' LEU . 93.4 mt -50.67 -44.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.98 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -64.03 -36.41 83.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.532 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -66.8 -46.17 76.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.675 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.672 ' CE1' ' CD1' ' A' ' 32' ' ' TYR . 5.8 m80 -63.9 -54.01 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.156 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.885 HD11 ' HA ' ' A' ' 25' ' ' ALA . 60.6 mt -60.41 -46.51 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.108 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 12.5 tmtt? -56.42 -53.34 58.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.535 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.01 -46.27 91.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 41' ' ' HIS . 51.4 mt-10 -55.95 -46.0 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.683 0.277 . . . . 0.0 111.429 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.53 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 23.1 m-85 -73.42 -44.55 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -57.83 -35.75 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.241 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -82.95 -39.65 21.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 111.187 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -79.54 -64.33 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.5 m-85 -83.27 -18.65 38.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.7 m-20 93.62 143.73 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.398 0 C-N-CA 122.74 0.416 . . . . 0.0 110.125 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.438 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.5 Cg_endo -58.41 169.87 2.78 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.595 2.197 . . . . 0.0 112.867 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 53' ' ' THR . 14.1 t -115.18 117.41 30.45 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 122.526 0.33 . . . . 0.0 111.21 0.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.628 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 23.3 m95 -95.28 131.1 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.385 0.612 . . . . 0.0 111.95 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.459 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 31.6 m-70 -110.83 138.99 46.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.091 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 52.4 t -139.01 153.39 48.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.559 0.695 . . . . 0.0 112.639 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.418 HD12 HD23 ' A' ' 84' ' ' LEU . 58.9 mt -149.89 146.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.559 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -154.65 136.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.45 . . . . 0.0 111.112 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.36 -135.24 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.61 ' HG3' HD21 ' C' ' 12' ' ' LEU . 0.0 OUTLIER -174.19 35.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.561 0.22 . . . . 0.0 111.356 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 40.2 t30 165.46 81.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.818 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.466 ' CD2' ' CB ' ' B' ' 62' ' ' PHE . 18.4 p90 -166.18 139.05 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.21 146.48 18.21 Favored Glycine 0 C--N 1.33 0.215 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.403 ' OG ' HG12 ' B' ' 57' ' ' ILE . 39.5 t -159.68 154.26 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.721 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 17.0 m-85 -135.57 139.79 44.16 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 114.303 -1.317 . . . . 0.0 109.752 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.883 HG11 ' CZ ' ' A' ' 86' ' ' PHE . 21.7 t -157.73 159.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.019 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.507 HG23 ' O ' ' C' ' 1' ' ' MET . 92.7 m -119.47 144.51 46.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -160.95 145.55 13.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.389 . . . . 0.0 111.727 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.4 pt-20 -61.99 154.44 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.488 HG22 ' CE ' ' C' ' 2' ' ' LYS . 74.3 p -56.25 147.75 20.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.884 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 60.09 37.31 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.998 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 53.6 m80 -150.25 54.77 0.92 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.681 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 8.7 t80 -165.36 140.36 5.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.312 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.445 HG22 ' SD ' ' A' ' 13' ' ' MET . 12.0 tt -155.93 133.72 2.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.614 ' OH ' HG21 ' C' ' 8' ' ' VAL . 46.2 t80 -137.81 133.94 34.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.563 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.641 ' CZ ' HG22 ' A' ' 22' ' ' VAL . 7.4 p90 -165.62 143.99 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.814 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 62.6 m-85 -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.826 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 6' ' ' ALA . 27.3 tp -156.33 134.78 11.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.438 . . . . 0.0 111.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.457 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 67.15 -66.64 0.22 Allowed Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 18.4 tt0 178.9 37.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG12 ' NH2' ' A' ' 60' ' ' ARG . 32.5 m -160.41 137.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.995 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.814 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -72.26 136.43 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.06 135.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD21 ' HE2' ' A' ' 86' ' ' PHE . 55.5 tp -131.42 142.25 49.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 42' ' ' ILE . 56.6 tp -160.1 143.46 13.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.883 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 21.2 p90 -179.57 131.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.628 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -95.89 149.29 21.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -117.99 133.81 55.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.668 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.505 -179.836 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 83.3 m 62.72 134.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.445 ' OD1' HG21 ' B' ' 26' ' ' THR . 2.9 p30 -61.65 137.77 58.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.513 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 5.4 tmm_? -176.64 130.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.467 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.513 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 13.7 tppt? -166.33 -126.46 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.155 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.619 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 62.3 132.27 0.01 OUTLIER 'General case' 0 C--O 1.23 0.047 0 CA-C-N 117.967 0.349 . . . . 0.0 110.98 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' B' ' 77' ' ' TYR . 33.3 m -87.79 134.96 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.995 0.426 . . . . 0.0 111.519 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.694 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.7 mp -91.03 144.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -139.55 -42.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.516 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 4.5 m120 -115.62 51.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.557 ' HB1' ' OE1' ' B' ' 18' ' ' GLN . . . -64.73 132.53 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.654 0.264 . . . . 0.0 110.564 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 2.2 m-20 -153.0 53.08 0.76 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.415 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' B' ' 18' ' ' GLN . 20.5 ptp -176.54 -174.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.9 m -65.08 143.14 58.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.453 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -51.95 -40.68 61.22 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.532 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.7 pt-20 -59.51 -43.25 93.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.768 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 76.7 mtp -65.29 -42.88 92.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.752 ' O ' HG23 ' B' ' 22' ' ' VAL . 54.5 mt-30 -66.93 -44.21 81.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.532 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 14.4 pt20 -69.3 -33.83 73.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.2 t0 -66.5 -40.37 89.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.507 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -68.42 -41.99 79.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.908 0.385 . . . . 0.0 110.127 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' ' 18' ' ' GLN . 49.9 t -65.92 -45.45 91.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.73 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.517 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -67.87 -43.6 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.029 0.442 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.34 -39.88 88.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.35 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.786 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -67.79 -36.53 80.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.277 0.561 . . . . 0.0 109.548 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.445 HG21 ' OD1' ' B' ' 3' ' ' ASP . 85.0 m -59.87 -44.26 94.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.298 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -59.68 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.178 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.74 -40.73 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' B' ' 38' ' ' ILE . 64.1 mt -64.07 -49.6 71.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.28 -32.17 69.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.0 mttt -80.77 -25.13 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.613 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 44.8 m-85 -145.04 -43.98 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.438 -0.505 . . . . 0.0 112.258 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.658 ' O ' HD13 ' B' ' 34' ' ' ILE . 0.3 OUTLIER 70.48 54.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.658 HD13 ' O ' ' B' ' 33' ' ' ASN . 41.6 mm -145.79 124.96 5.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' B' ' 36' ' ' LYS . 11.9 pt-20 -49.63 -47.46 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.593 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 36.7 ttpt -59.71 -58.63 7.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -53.0 -42.8 65.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.855 HD11 ' CD2' ' B' ' 29' ' ' LEU . 96.7 mt -51.71 -46.36 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.389 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.616 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -62.35 -41.21 98.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.812 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.721 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -62.94 -45.85 90.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.573 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 64.2 m-70 -66.68 -51.32 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.713 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.786 HD11 ' HA ' ' B' ' 25' ' ' ALA . 50.1 mt -64.79 -43.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 111.258 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.47 -57.89 10.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.762 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' B' ' 44' ' ' LYS . 10.5 mtmp? -58.08 -44.27 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 39.3 tt0 -57.29 -45.28 84.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -72.66 -39.31 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.32 . . . . 0.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -61.15 -40.41 93.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -72.17 -39.6 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.103 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 94.4 mttt -84.29 -70.19 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 7.7 m-30 -73.96 -21.14 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.9 t30 96.56 141.82 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.568 0 C-N-CA 122.672 0.389 . . . . 0.0 110.347 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.42 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 50.5 Cg_exo -56.52 171.28 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.411 2.074 . . . . 0.0 112.75 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.88 HG22 ' O ' ' B' ' 88' ' ' SER . 9.1 t -118.55 106.08 12.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.38 0.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.791 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.2 m95 -84.56 122.26 28.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.345 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.584 ' O ' HD12 ' B' ' 85' ' ' LEU . 30.5 m-70 -99.06 136.31 39.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.942 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.592 ' HB2' HD13 ' B' ' 85' ' ' LEU . 44.0 t -132.26 150.11 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 0.0 112.065 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' B' ' 62' ' ' PHE . 36.6 mt -147.92 142.0 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.224 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -149.02 132.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.97 -134.86 2.42 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 28.0 ttm180 -173.95 39.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.605 0.241 . . . . 0.0 111.028 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 166.37 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.5 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' B' ' 57' ' ' ILE . 32.4 p90 -173.24 132.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -83.63 135.35 13.7 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.1 m -128.32 141.41 51.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.49 0.645 . . . . 0.0 112.621 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.703 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 4.2 t80 -144.1 125.75 15.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.719 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.611 HG12 ' N ' ' B' ' 67' ' ' THR . 22.6 t -157.21 170.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.192 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.6 m -116.0 147.38 41.27 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.9 p80 -161.86 141.0 9.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.408 . . . . 0.0 111.629 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.408 ' OE2' ' CE1' ' B' ' 72' ' ' HIS . 12.6 pt-20 -66.44 154.75 39.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.243 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.526 HG23 ' N ' ' D' ' 1' ' ' MET . 77.2 p -57.23 150.57 17.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.9 mmpt? 65.9 34.73 7.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.408 ' CE1' ' OE2' ' B' ' 69' ' ' GLU . 62.5 m80 -158.71 69.29 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' B' ' 84' ' ' LEU . 32.5 t80 -169.6 137.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.839 ' O ' HD12 ' B' ' 84' ' ' LEU . 10.8 tt -156.42 142.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.212 0.53 . . . . 0.0 111.876 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.516 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 41.0 t80 -142.16 139.59 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.391 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.8 p90 -170.03 140.71 2.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 112.166 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.595 ' HB2' HG22 ' B' ' 7' ' ' VAL . 60.5 m-85 -80.59 149.64 29.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.317 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' B' ' 6' ' ' ALA . 53.1 tp -169.96 139.96 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.16 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.86 39.95 70.22 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 56.7 37.36 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.557 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.3 m -156.81 135.79 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.011 0.434 . . . . 0.0 110.853 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.447 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -72.74 135.91 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.581 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 55.2 mt -125.09 140.01 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.399 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.839 HD12 ' O ' ' B' ' 74' ' ' ILE . 57.3 tp -140.91 145.34 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' B' ' 54' ' ' TRP . 50.9 tp -158.49 143.17 16.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.062 0.458 . . . . 0.0 111.429 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.614 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 12.8 p90 -179.21 134.57 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.791 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -83.06 170.0 15.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.045 0.45 . . . . 0.0 111.604 -179.244 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.88 ' O ' HG22 ' B' ' 53' ' ' THR . 46.6 t -146.35 135.04 22.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.985 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.522 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.507 ' O ' HG23 ' A' ' 67' ' ' THR . 81.5 mtp . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.488 ' CE ' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -72.75 129.36 38.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.506 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.561 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -75.69 109.75 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.239 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.669 HG21 ' HE2' ' A' ' 73' ' ' PHE . 12.1 t -73.27 136.29 44.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.18 134.29 7.65 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.248 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 pt -151.1 170.05 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.955 0.407 . . . . 0.0 111.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.509 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.9 pt20 -160.03 69.79 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.809 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.614 HG21 ' OH ' ' A' ' 75' ' ' TYR . 47.3 t -69.43 136.82 25.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.824 0.345 . . . . 0.0 110.982 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.804 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.455 ' CZ ' ' CE2' ' A' ' 77' ' ' TYR . 15.7 ptp180 -92.28 137.37 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' C' ' 13' ' ' ASP . 1.5 m-20 -81.06 46.34 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.597 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.61 HD21 ' HG3' ' A' ' 60' ' ' ARG . 84.0 mt 68.06 -32.27 0.2 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.097 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' C' ' 11' ' ' ASP . 1.5 m-20 69.13 -57.24 0.53 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.554 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.84 -47.88 3.62 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.838 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -170.8 -47.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.621 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -66.82 137.59 56.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.626 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -70.75 54.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.523 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.393 179.812 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.526 ' N ' HG23 ' B' ' 70' ' ' THR . 22.3 ptp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.878 0.371 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -153.81 137.18 15.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.636 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.2 p-10 -69.96 126.94 31.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.967 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.516 HG21 ' CE2' ' B' ' 86' ' ' PHE . 12.8 t -75.41 144.42 42.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.526 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -146.21 123.86 1.92 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.366 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.832 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.7 pp -160.37 145.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.31 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' D' ' 7' ' ' GLN . 22.4 pt20 -123.57 100.51 6.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.102 0.477 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 52.1 t -78.41 137.57 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -173.79 46.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.011 0.434 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' D' ' 10' ' ' ARG . 4.3 mmp_? -57.93 131.97 52.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -84.48 45.22 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -91.61 39.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -70.49 130.8 42.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.12 -50.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.821 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.02 -60.15 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 111.124 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 76.4 p 176.45 135.21 0.06 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 37.4 m170 57.78 46.13 17.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.734 0.302 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.1 m -153.9 131.95 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.726 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -179.21 44.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.67 ' HD2' HD11 ' A' ' 78' ' ' LEU . 40.2 ttp85 -178.05 124.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.98 ' HG3' HG13 ' A' ' 7' ' ' VAL . 22.3 tptm -78.48 -61.35 2.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.973 0.416 . . . . 0.0 111.026 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . 56.34 52.98 9.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.978 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.98 HG13 ' HG3' ' A' ' 5' ' ' LYS . 8.5 m -85.63 137.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 112.007 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.655 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -80.53 136.96 22.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.454 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -115.72 -32.49 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -155.47 52.8 0.6 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.86 0.362 . . . . 0.0 111.463 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.655 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.71 146.52 20.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -167.61 71.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.407 . . . . 0.0 111.147 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.436 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 60.2 mtt -157.16 -166.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.3 p -88.31 38.52 0.86 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.2 mt-10 65.51 -58.83 0.29 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.99 -38.83 80.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.278 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 60.4 mtt -60.13 -51.46 69.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 22' ' ' VAL . 11.1 pt20 -60.56 -39.76 89.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -64.33 -42.09 96.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.979 0.418 . . . . 0.0 110.244 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.407 ' OD1' ' CZ ' ' A' ' 46' ' ' PHE . 7.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.575 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.2 m -67.71 -43.99 78.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.086 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 18' ' ' GLN . 59.0 t -64.74 -46.68 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.372 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.0 -42.29 85.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.72 -37.95 87.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.865 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -67.11 -37.64 84.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.336 0.588 . . . . 0.0 109.429 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.2 m -60.38 -43.66 96.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.067 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HG2' ' CD ' ' A' ' 31' ' ' LYS . 51.9 tt0 -58.89 -45.97 88.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.117 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.576 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -54.17 -44.09 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.963 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.847 ' CD2' HD11 ' A' ' 38' ' ' ILE . 59.0 mt -60.51 -48.41 81.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.32 -33.51 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.312 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 57.3 mtpt -77.38 -31.76 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.42 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CD1' ' CE1' ' A' ' 41' ' ' HIS . 4.2 m-85 -138.79 -49.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.951 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.854 ' C ' HD12 ' A' ' 34' ' ' ILE . 50.2 t30 78.57 45.37 0.06 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.415 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.854 HD12 ' C ' ' A' ' 33' ' ' ASN . 2.4 mp -135.59 130.07 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.122 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.18 -46.76 62.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.926 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -65.89 -53.91 33.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.846 0.355 . . . . 0.0 111.499 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.62 ' HB3' ' CE1' ' A' ' 41' ' ' HIS . 59.6 m-20 -54.58 -42.04 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.503 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.847 HD11 ' CD2' ' A' ' 29' ' ' LEU . 89.8 mt -52.46 -42.69 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.056 0.455 . . . . 0.0 110.481 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 56' ' ' CYS . . . -60.4 -38.93 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.253 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.12 -47.03 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.661 ' CE1' ' CD1' ' A' ' 32' ' ' TYR . 15.6 m80 -60.9 -51.58 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 111.506 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 ' HA ' ' A' ' 25' ' ' ALA . 63.9 mt -60.88 -43.51 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' B' ' 65' ' ' TYR . 62.3 tttm -57.85 -51.63 68.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.6 -47.63 84.83 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -56.31 -47.85 77.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 111.533 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CZ ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-85 -71.42 -40.31 70.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.633 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 53.0 m-20 -57.89 -36.01 71.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.023 0.439 . . . . 0.0 110.579 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.77 -39.6 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.488 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -81.32 -61.22 2.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' HB3' ' A' ' 51' ' ' ASN . 5.3 m-85 -85.96 -21.25 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.543 ' HB3' ' O ' ' A' ' 50' ' ' TYR . 26.7 t-20 95.18 137.83 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.75 0.42 . . . . 0.0 110.217 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 47' ' ' ASP . 11.9 Cg_endo -54.95 169.71 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.632 2.221 . . . . 0.0 112.513 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.9 t -116.12 116.62 28.18 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 122.962 0.505 . . . . 0.0 111.219 0.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.739 ' CG ' ' HB3' ' A' ' 87' ' ' LYS . 22.0 m95 -93.13 129.96 38.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.685 ' O ' HD12 ' A' ' 85' ' ' LEU . 38.9 m-70 -98.16 135.93 39.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.235 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.686 ' SG ' HD13 ' A' ' 85' ' ' LEU . 78.7 m -123.98 147.82 47.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.297 0.57 . . . . 0.0 112.304 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.801 HG23 ' OG ' ' B' ' 64' ' ' SER . 57.9 mt -151.27 143.54 16.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.298 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -156.8 135.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.43 -137.07 2.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.692 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.676 ' HA ' HG11 ' C' ' 8' ' ' VAL . 7.3 ptm180 -179.01 41.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.191 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' C' ' 8' ' ' VAL . 2.0 m120 162.12 82.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.064 0.545 . . . . 0.0 109.817 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 14.7 p90 -173.07 137.14 0.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.577 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -100.57 139.64 14.5 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.841 ' OG ' HG23 ' B' ' 57' ' ' ILE . 41.7 m -157.31 149.59 22.82 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.927 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 19.4 m-85 -124.61 140.56 52.82 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.14 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.817 HG11 ' CZ ' ' A' ' 86' ' ' PHE . 27.9 t -156.87 162.46 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 CA-C-O 120.527 0.203 . . . . 0.0 111.381 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.543 ' N ' HG12 ' A' ' 66' ' ' VAL . 85.4 m -115.83 155.89 27.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' ND1' ' HB2' ' A' ' 73' ' ' PHE . 23.7 p80 -166.95 140.35 3.7 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.819 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 25.0 pt-20 -64.28 150.26 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.626 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -56.78 150.96 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.425 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 34.6 mmtp 64.26 37.19 8.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.788 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 33.8 m80 -164.43 54.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.709 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 34.7 t80 -152.61 141.33 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.953 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.802 ' O ' HD12 ' A' ' 84' ' ' LEU . 6.5 tt -165.01 145.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.312 0.577 . . . . 0.0 111.962 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.7 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.6 t80 -148.97 135.07 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.815 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.73 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -166.93 135.89 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.452 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 57.1 m-85 -74.54 143.7 44.38 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.552 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.881 HD23 ' N ' ' A' ' 79' ' ' GLY . 6.0 tt -169.25 142.42 2.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 110.989 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.881 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 56.52 41.07 88.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.431 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 81' ' ' VAL . 13.7 mp0 55.61 35.43 25.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 78' ' ' LEU . 29.5 m -158.33 135.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB3' HG21 ' C' ' 8' ' ' VAL . . . -69.78 135.57 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.268 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' A' ' 78' ' ' LEU . 58.4 mt -121.02 137.89 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 74' ' ' ILE . 50.9 tp -139.95 140.7 36.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.686 HD13 ' SG ' ' A' ' 56' ' ' CYS . 58.2 tp -154.22 145.48 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.817 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 11.7 p90 178.75 132.62 0.08 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.739 ' HB3' ' CG ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -102.28 170.35 8.13 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.557 ' HB3' ' HG2' ' A' ' 69' ' ' GLU . 35.7 t 54.61 45.69 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.07 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.567 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 120.813 0.34 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 54.1 t -60.41 133.24 55.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.86 132.0 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.815 ' HD2' HG11 ' B' ' 22' ' ' VAL . 1.5 tmm_? 57.93 54.66 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.371 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -66.06 -132.15 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.055 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.779 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 61.03 132.24 0.01 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 0.0 111.57 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' B' ' 77' ' ' TYR . 29.3 m -99.94 138.88 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.736 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.641 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.2 155.27 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.838 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.426 ' N ' HG22 ' B' ' 8' ' ' ILE . 31.8 mmmt -142.28 -39.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -147.12 49.79 1.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.015 0.436 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.577 ' HB1' ' OE1' ' B' ' 18' ' ' GLN . . . -58.65 145.8 38.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.405 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 63.7 t0 -161.05 56.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 110.459 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.57 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 61.7 mtt -160.51 157.24 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.74 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.2 m -56.13 148.81 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.334 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.79 -41.37 4.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.818 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.88 -39.41 93.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.57 ' HB2' ' HB3' ' B' ' 13' ' ' MET . 67.4 mtt -67.44 -47.73 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.819 ' O ' HG23 ' B' ' 22' ' ' VAL . 42.4 mt-30 -64.93 -42.73 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.174 0.511 . . . . 0.0 110.137 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.59 -41.34 84.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.432 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 38.2 t70 -68.93 -36.53 78.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.414 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -68.03 -44.32 76.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.998 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.819 HG23 ' O ' ' B' ' 18' ' ' GLN . 60.5 t -64.65 -45.96 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.6 -43.3 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.44 -37.41 87.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.89 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -68.62 -40.1 80.5 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -60.47 -42.97 97.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.212 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 40.0 tt0 -59.46 -44.95 92.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.354 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' B' ' 41' ' ' HIS . . . -56.51 -42.37 78.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.805 HD23 HD11 ' B' ' 38' ' ' ILE . 54.1 mt -61.27 -48.83 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.497 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.36 -32.09 72.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.598 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.5 mtpm? -81.64 -26.11 35.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.844 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.535 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 54.3 m-85 -145.32 -45.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.283 -0.567 . . . . 0.0 112.384 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.5 t30 69.16 51.54 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.961 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.536 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.5 mt -136.96 129.64 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.712 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -51.79 -52.03 51.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.172 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.36 -56.01 19.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 0.0 111.755 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.459 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.4 m-20 -53.6 -45.83 70.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.15 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.805 HD11 HD23 ' B' ' 29' ' ' LEU . 93.7 mt -49.58 -44.46 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.79 0.328 . . . . 0.0 111.419 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.29 81.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.484 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.927 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -64.37 -47.15 80.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.835 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 19.6 m-70 -62.81 -50.29 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.356 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' B' ' 25' ' ' ALA . 56.8 mt -68.22 -40.03 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.755 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.454 ' CD ' ' HB3' ' A' ' 65' ' ' TYR . 60.2 tttm -60.32 -58.48 8.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -68.72 -39.24 80.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.827 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.02 -53.64 47.17 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.485 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.5 m-85 -71.37 -44.03 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.9 t0 -54.56 -37.34 65.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.441 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -76.66 -49.65 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.788 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.405 ' HD3' ' NZ ' ' B' ' 48' ' ' LYS . 75.7 mmtt -74.39 -70.24 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.264 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.551 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.7 m-30 -68.14 -17.33 64.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.023 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 33.7 m-20 94.24 146.4 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.441 0 C-N-CA 122.837 0.455 . . . . 0.0 110.417 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.42 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 29.0 Cg_endo -62.9 167.75 11.59 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.445 2.097 . . . . 0.0 112.52 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.553 HG22 ' O ' ' B' ' 88' ' ' SER . 9.8 t -112.86 133.21 54.95 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.776 0.43 . . . . 0.0 110.474 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 33.8 m95 -109.09 135.9 49.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.447 0.642 . . . . 0.0 112.627 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.501 ' HB2' ' CZ ' ' B' ' 86' ' ' PHE . 13.7 m-70 -115.43 137.37 52.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.604 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.8 t -136.81 154.34 50.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.46 0.648 . . . . 0.0 112.58 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.841 HG23 ' OG ' ' A' ' 64' ' ' SER . 54.3 mt -148.98 142.51 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.809 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -151.26 132.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 111.162 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.42 -131.48 2.14 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.284 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 38.6 ptt85 -177.02 37.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.7 t30 177.39 76.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.559 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 10.1 p90 -162.89 138.5 6.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.524 0.678 . . . . 0.0 112.398 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -115.36 137.0 13.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.801 ' OG ' HG23 ' A' ' 57' ' ' ILE . 61.2 m -154.27 148.8 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.48 ' CE1' ' HD3' ' A' ' 43' ' ' LYS . 2.7 t80 -120.17 132.64 55.46 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.242 -1.345 . . . . 0.0 107.782 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' B' ' 86' ' ' PHE . 20.1 t -154.35 167.19 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.596 ' N ' HG12 ' B' ' 66' ' ' VAL . 91.1 m -124.04 143.79 50.23 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' D' ' 1' ' ' MET . 31.0 p80 -159.39 146.43 16.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 112.122 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 16.7 tp10 -58.29 151.97 18.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.193 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.573 HG23 ' N ' ' D' ' 1' ' ' MET . 44.7 p -53.12 146.25 11.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.179 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' B' ' 71' ' ' LYS . 11.8 mptt 61.03 17.58 8.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.111 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.464 ' CE1' ' HE3' ' B' ' 87' ' ' LYS . 33.7 m170 -122.13 68.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 9.3 t80 179.41 146.43 0.2 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.935 0.397 . . . . 0.0 111.429 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.486 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 10.9 tt -162.48 133.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' D' ' 8' ' ' VAL . 37.2 t80 -130.02 132.22 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.575 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.616 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.1 p90 -166.57 134.67 2.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.448 ' HB2' HG22 ' B' ' 7' ' ' VAL . 60.9 m-85 -73.1 147.25 45.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.872 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' B' ' 6' ' ' ALA . 52.0 tp -170.44 140.4 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.32 41.74 80.63 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.577 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 54.78 36.54 26.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.485 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.8 m -157.37 133.51 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.788 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 125.62 27.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.508 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' B' ' 78' ' ' LEU . 54.2 mt -105.71 143.8 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.503 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 65.6 tp -143.63 143.27 31.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.912 0.387 . . . . 0.0 111.19 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' B' ' 42' ' ' ILE . 56.1 tp -157.11 141.47 16.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.296 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.601 ' CE2' HG11 ' B' ' 66' ' ' VAL . 8.7 p90 -173.63 129.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 56.1 pttt -100.87 170.46 8.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.099 0.476 . . . . 0.0 111.416 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.553 ' O ' HG22 ' B' ' 53' ' ' THR . 57.6 m -145.33 140.51 27.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.961 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.524 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.692 0.282 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -159.64 150.51 19.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.58 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 47.5 p-10 -74.15 124.03 25.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.562 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' VAL . 11.9 t -76.46 132.8 39.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.445 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.618 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -124.87 124.0 5.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.612 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.799 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.1 pp -161.94 155.36 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.577 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.3 pt20 -146.54 117.71 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.359 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 60' ' ' ARG . 40.2 t -81.31 138.65 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.895 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.797 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -70.93 129.03 37.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.727 0.299 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.94 56.36 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.753 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 80' ' ' GLN . 49.8 tp -60.82 -24.98 66.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.025 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.66 132.73 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.84 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.34 -56.57 21.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.467 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -77.66 131.53 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.655 0.264 . . . . 0.0 110.655 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m 56.95 48.99 14.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.639 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -53.14 136.2 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.408 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.877 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.573 ' N ' HG23 ' B' ' 70' ' ' THR . 50.1 ttm . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.622 0.249 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' D' ' 2' ' ' LYS . 8.3 mtpm? -152.04 134.6 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.16 0.505 . . . . 0.0 111.305 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.448 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 38.3 p30 -75.66 120.14 20.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.867 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.583 HG21 ' HE2' ' B' ' 73' ' ' PHE . 15.4 t -89.24 149.58 23.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.632 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -153.22 129.05 2.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.935 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.855 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.3 pp -160.49 143.84 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.164 0.507 . . . . 0.0 112.313 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.481 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.2 pt20 -119.96 84.87 2.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.553 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' B' ' 75' ' ' TYR . 47.2 t -69.41 143.55 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 34.9 t70 -163.48 130.93 3.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.502 ' HD2' HD13 ' D' ' 12' ' ' LEU . 13.1 tpt180 -64.58 134.54 54.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -177.61 42.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.324 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.587 HD12 ' N ' ' D' ' 12' ' ' LEU . 5.0 mp -90.16 41.07 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.976 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -71.72 138.84 48.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.68 65.45 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.225 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -158.1 136.55 11.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.574 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.1 t 63.9 133.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -60.57 137.44 58.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.911 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 120.817 0.341 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.52 133.49 56.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -62.42 138.46 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.497 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -75.85 51.37 0.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' ALA . 17.0 tppt? -73.33 -76.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.724 0.297 . . . . 0.0 111.282 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 59.06 125.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.9 m -82.23 136.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.143 0.497 . . . . 0.0 111.938 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.737 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -90.19 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.683 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -136.39 -43.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.57 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 4.1 m120 -123.44 46.29 2.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.77 0.319 . . . . 0.0 111.568 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.737 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -61.08 141.44 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.745 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -169.64 54.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.757 0.313 . . . . 0.0 111.606 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.432 ' HE3' ' N ' ' A' ' 73' ' ' PHE . 13.5 ptp -171.42 -175.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 111.223 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.7 m -55.27 151.21 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.403 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -65.0 -43.98 90.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.314 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.57 -42.4 98.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.94 -51.15 71.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 111.182 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.6 pt20 -60.64 -39.86 89.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.28 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -67.25 -41.22 85.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.862 0.363 . . . . 0.0 110.804 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -64.78 -39.88 94.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.63 -44.55 81.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.87 0.367 . . . . 0.0 110.253 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' GLN . 60.5 t -64.6 -44.43 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.8 -46.43 78.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.529 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -65.91 -31.25 72.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.819 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.48 -39.88 73.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.176 0.513 . . . . 0.0 109.781 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.544 ' OG1' HD21 ' A' ' 78' ' ' LEU . 89.4 m -59.75 -49.58 77.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.378 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 35.7 mt-30 -57.93 -47.06 84.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.833 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -45.69 -43.42 12.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.745 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.798 HD23 HD11 ' A' ' 38' ' ' ILE . 53.4 mt -62.4 -46.9 86.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.119 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.025 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 60.5 mmtt -80.37 -36.71 33.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.579 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 45.4 m-85 -134.56 -40.71 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.616 ' O ' HD13 ' A' ' 34' ' ' ILE . 49.5 t30 67.69 46.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.993 0.425 . . . . 0.0 110.345 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 33' ' ' ASN . 47.3 mm -148.09 124.28 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.725 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -48.28 -44.98 34.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.907 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -62.43 -58.24 8.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.647 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.65 -47.02 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.73 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.833 HG23 ' CB ' ' A' ' 28' ' ' ALA . 66.7 mt -54.57 -52.07 44.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.14 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.916 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.97 -55.98 10.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.528 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.06 -48.7 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 -178.707 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.819 HD11 ' HA ' ' A' ' 25' ' ' ALA . 52.3 mt -58.04 -42.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.654 0.264 . . . . 0.0 111.105 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -60.22 -46.29 90.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.686 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 60.8 mttp -68.22 -48.59 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.9 mt-10 -56.19 -46.74 79.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.685 0.278 . . . . 0.0 111.634 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CE1' HG23 ' A' ' 42' ' ' ILE . 11.0 m-85 -66.75 -42.85 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.686 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.0 p30 -66.74 -29.96 70.06 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -75.55 -43.47 48.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.2 mtpt -78.59 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.7 m-85 -85.29 -15.22 44.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.385 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 94.07 139.84 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.551 0 O-C-N 123.46 0.475 . . . . 0.0 110.185 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 38.7 Cg_exo -60.36 166.97 8.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.464 2.109 . . . . 0.0 112.737 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.8 t -115.48 133.51 55.96 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.912 0.485 . . . . 0.0 110.881 0.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 32.0 m95 -102.75 132.33 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.5 m-70 -103.34 129.01 50.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.0 t -131.59 144.56 51.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.316 0.579 . . . . 0.0 112.151 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 62' ' ' PHE . 48.2 mt -150.53 138.84 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.005 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -149.8 136.56 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.181 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.73 -133.34 2.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.544 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.745 ' HD2' HD12 ' C' ' 12' ' ' LEU . 55.0 ttp180 -175.14 44.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 161.27 84.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 57' ' ' ILE . 2.8 p90 -170.03 137.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.59 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -111.66 134.36 12.05 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 177.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.707 ' HB3' HG23 ' B' ' 57' ' ' ILE . 62.9 p -155.6 153.54 30.28 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.706 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 22.5 m-85 -124.25 142.09 51.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.63 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' HG22 ' C' ' 4' ' ' THR . 20.3 t -157.63 162.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.2 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.519 ' N ' HG12 ' A' ' 66' ' ' VAL . 92.0 m -115.54 153.75 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 23.8 p80 -167.6 150.09 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.62 139.27 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.999 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.8 p -56.47 148.36 19.49 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.462 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 66.48 36.38 5.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -157.92 56.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.036 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.546 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 28.2 t80 -152.95 138.7 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.092 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.682 HD12 ' HB3' ' A' ' 18' ' ' GLN . 9.8 tt -161.73 142.13 3.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.219 0.533 . . . . 0.0 112.008 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.738 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.7 t80 -141.95 137.35 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.982 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 22' ' ' VAL . 8.6 p90 -166.54 141.46 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.473 . . . . 0.0 112.077 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 6.6 m-85 -86.93 152.95 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.826 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 6' ' ' ALA . 63.9 tp -160.86 138.38 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 0.0 111.861 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 67.32 -67.02 0.24 Allowed Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.976 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 18.3 tt0 179.82 36.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.8 m -159.79 135.9 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.652 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.39 130.24 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.482 HD12 ' HE1' ' A' ' 76' ' ' PHE . 56.3 mt -113.18 141.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.738 HD13 ' HD2' ' A' ' 75' ' ' TYR . 59.5 tp -138.1 141.32 40.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.479 ' O ' HG22 ' A' ' 74' ' ' ILE . 57.2 tp -158.46 135.29 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.546 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.5 p90 -173.59 127.73 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.583 ' HZ2' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -96.38 170.41 9.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.185 0.517 . . . . 0.0 111.799 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -147.32 129.97 16.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.724 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.54 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 26.7 p -61.45 -42.89 99.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 36.8 t70 62.83 132.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.567 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 3.4 tmm_? -178.5 130.29 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.211 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.567 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.4 mmtt -148.46 -139.86 0.1 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.251 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.978 ' HB2' HD22 ' B' ' 78' ' ' LEU . . . 63.85 124.98 0.02 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.725 0.298 . . . . 0.0 111.233 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 28.1 m -90.11 136.36 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.58 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.34 126.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -102.6 -34.59 9.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.5 ' OD1' ' HB3' ' B' ' 75' ' ' TYR . 19.4 p30 -165.95 55.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.045 0.45 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.4 ' HB2' HG23 ' B' ' 8' ' ' ILE . . . -61.43 147.79 43.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.63 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -158.27 70.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.181 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' B' ' 14' ' ' SER . 53.6 ttm -174.55 161.92 3.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.53 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' B' ' 13' ' ' MET . 57.9 m -45.31 140.14 3.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -49.56 -49.73 45.12 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.074 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.89 -41.35 99.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.41 ' HB2' ' HG2' ' B' ' 13' ' ' MET . 86.8 mtp -64.97 -47.98 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.832 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.9 pt20 -67.0 -39.43 87.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.342 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.83 -38.96 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.681 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -68.81 -36.78 78.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.9 t -67.48 -41.98 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.038 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.832 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.1 t -64.49 -48.86 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.498 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.0 -42.4 89.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.836 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.65 -33.91 73.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.547 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.762 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.78 -39.67 76.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.218 0.533 . . . . 0.0 109.907 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -59.49 -46.11 89.75 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.082 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.401 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 54.1 tt0 -60.89 -37.89 83.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.679 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -54.78 -47.79 73.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.853 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.869 ' CD2' HD11 ' B' ' 38' ' ' ILE . 62.8 mt -61.36 -46.54 89.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.63 -32.5 73.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.401 ' CD ' ' HG2' ' B' ' 27' ' ' GLN . 57.8 mtpt -83.97 -41.57 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.901 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.458 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 4.8 m-85 -119.23 -46.53 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.582 ' O ' HD13 ' B' ' 34' ' ' ILE . 0.3 OUTLIER 68.0 46.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.582 HD13 ' O ' ' B' ' 33' ' ' ASN . 45.1 mm -150.41 127.02 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.69 -46.17 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.973 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.74 -57.56 8.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.961 0.41 . . . . 0.0 111.316 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 57.9 m-20 -53.15 -45.18 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.957 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.869 HD11 ' CD2' ' B' ' 29' ' ' LEU . 98.3 mt -48.64 -53.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -65.26 -24.49 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.99 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.706 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -68.57 -62.89 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.5 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.76 -46.29 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.482 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' B' ' 25' ' ' ALA . 75.4 mt -59.53 -45.68 93.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.529 ' HB3' ' NZ ' ' B' ' 43' ' ' LYS . 6.5 ttpm? -56.81 -49.6 74.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.059 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.22 -41.38 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.395 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -55.94 -52.72 63.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.112 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -71.01 -42.53 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.949 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' B' ' 52' ' ' PRO . 61.3 t0 -57.02 -40.87 77.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -79.07 -44.75 21.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.224 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.53 -63.21 1.29 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 2.7 m-85 -79.61 -14.64 58.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.256 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.24 145.42 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 122.785 0.434 . . . . 0.0 110.249 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.418 ' HB3' ' OD1' ' B' ' 47' ' ' ASP . 19.5 Cg_endo -62.44 169.84 7.59 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.192 1.928 . . . . 0.0 112.539 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.718 HG22 ' O ' ' B' ' 88' ' ' SER . 11.5 t -117.89 113.02 21.12 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.94 0.496 . . . . 0.0 110.983 0.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.69 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.2 m95 -89.85 125.59 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.354 0.597 . . . . 0.0 112.244 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.415 ' ND1' HG13 ' A' ' 66' ' ' VAL . 45.8 m-70 -101.23 132.12 46.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.828 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.427 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 42.7 t -128.02 150.04 50.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 112.068 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.707 HG23 ' HB3' ' A' ' 64' ' ' SER . 37.9 mt -147.25 142.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.056 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 51.3 t -156.03 136.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.47 -136.62 2.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 15.6 ptp180 -170.34 32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.598 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 41.0 t30 162.86 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 22.5 p90 -169.86 139.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.67 136.93 13.43 Favored Glycine 0 C--N 1.329 0.156 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t -140.68 146.52 37.94 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' D' ' 4' ' ' THR . 12.0 m-85 -138.69 135.5 34.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.665 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.635 HG11 ' CE1' ' B' ' 86' ' ' PHE . 38.9 t -157.53 169.3 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.616 ' N ' HG12 ' B' ' 66' ' ' VAL . 91.8 m -121.11 144.88 48.33 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -160.96 143.52 12.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.006 0.432 . . . . 0.0 111.886 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.25 152.67 43.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.743 HG23 ' N ' ' D' ' 1' ' ' MET . 38.8 p -58.7 151.97 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.184 0.516 . . . . 0.0 111.795 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.479 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 44.2 mmtm 63.6 38.53 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.147 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.8 m-70 -164.74 69.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.962 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.709 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.4 t80 -173.58 140.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.743 ' O ' HD12 ' B' ' 84' ' ' LEU . 8.9 tt -160.4 143.91 4.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.921 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.633 ' OH ' HG22 ' D' ' 8' ' ' VAL . 44.5 t80 -141.66 140.39 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.394 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.635 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.2 p90 -165.75 141.02 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.06 0.457 . . . . 0.0 111.651 -178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -87.07 143.77 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.978 HD22 ' HB2' ' B' ' 6' ' ' ALA . 53.0 tp -169.82 145.23 2.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.493 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.53 40.99 88.34 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.414 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 53.86 35.72 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.718 0.294 . . . . 0.0 110.654 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.8 m -157.99 132.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.511 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.86 143.42 52.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.412 HD12 ' HE1' ' B' ' 76' ' ' PHE . 58.1 mt -131.03 134.53 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.606 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.743 HD12 ' O ' ' B' ' 74' ' ' ILE . 54.1 tp -136.78 146.83 46.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' B' ' 54' ' ' TRP . 57.8 tp -161.35 142.96 11.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.709 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 11.5 p90 -179.02 132.88 0.12 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.359 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.69 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -86.11 153.14 22.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 111.815 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.718 ' O ' HG22 ' B' ' 53' ' ' THR . 45.7 t -126.02 123.17 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.783 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.448 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.819 0.342 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 34.4 mmtp -70.89 132.91 45.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.517 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 t70 -85.99 109.48 18.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.158 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.581 HG22 ' HB ' ' A' ' 66' ' ' VAL . 15.0 t -77.6 144.58 37.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.648 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -148.6 125.99 2.18 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.613 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.83 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.3 pp -162.24 151.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 112.143 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.59 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 17.6 pt20 -138.38 118.55 13.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.683 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 62' ' ' PHE . 43.4 t -93.29 138.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.795 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.7 ' CZ ' HD11 ' C' ' 12' ' ' LEU . 76.7 mtp180 -62.01 130.38 45.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -87.67 45.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.232 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.745 HD12 ' HD2' ' A' ' 60' ' ' ARG . 82.1 mt -77.52 55.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 111.052 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -168.86 138.01 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.756 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.59 136.72 46.76 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.685 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 63.3 135.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.946 0.403 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -59.55 136.89 58.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -176.5 -46.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.955 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.743 ' N ' HG23 ' B' ' 70' ' ' THR . 83.4 mtp . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.804 0.335 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -173.17 139.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.598 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 -74.74 121.75 22.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.559 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.464 ' N ' ' O ' ' B' ' 66' ' ' VAL . 9.1 t -74.53 148.33 41.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.246 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.55 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -148.94 127.03 2.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.919 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.932 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -158.77 138.28 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 111.705 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.441 ' HG2' ' OD1' ' D' ' 9' ' ' ASP . 15.4 tt0 -112.47 89.67 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.333 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.633 HG22 ' OH ' ' B' ' 75' ' ' TYR . 47.1 t -69.57 138.44 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.448 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.441 ' OD1' ' HG2' ' D' ' 7' ' ' GLN . 2.3 m-20 -154.89 125.13 6.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.42 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.419 ' HD2' ' HD3' ' B' ' 60' ' ' ARG . 61.5 ttt-85 -77.69 134.34 38.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.702 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -177.54 45.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.576 HD12 ' N ' ' D' ' 12' ' ' LEU . 5.2 mp -75.26 53.53 0.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.307 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -177.67 134.07 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.86 -46.89 93.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.397 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -178.46 131.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.71 0.291 . . . . 0.0 110.78 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -179.62 -42.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.736 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' HIS . . . . . 0.452 ' CE1' ' HG3' ' D' ' 18' ' ' LYS . 16.5 p80 -177.8 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' LYS . . . . . 0.452 ' HG3' ' CE1' ' D' ' 17' ' ' HIS . 59.7 mttp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.779 0.323 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -178.35 -44.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -60.8 135.92 57.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' HE ' HG21 ' A' ' 26' ' ' THR . 10.1 mpt_? -64.49 143.81 57.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HD3' ' H ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -90.24 31.76 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.091 0.472 . . . . 0.0 111.332 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.952 ' HB2' HD12 ' A' ' 78' ' ' LEU . . . -70.02 66.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.714 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 35.4 m -75.38 135.91 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.127 0.489 . . . . 0.0 112.11 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.7 mp -79.32 151.63 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.391 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HE2' HG23 ' A' ' 7' ' ' VAL . 75.3 mmtt -136.53 -41.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.342 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -138.68 48.19 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.749 0.309 . . . . 0.0 111.438 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . . . -65.45 138.76 58.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -158.76 59.07 0.43 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.415 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 17' ' ' MET . 22.8 ptm -167.32 -172.63 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.276 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 16' ' ' GLU . 33.2 t -60.93 135.35 57.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -54.84 -45.71 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.772 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 14' ' ' SER . 12.5 pt-20 -58.51 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.132 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.402 ' HB3' ' HE1' ' A' ' 13' ' ' MET . 66.6 mtt -60.11 -45.18 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 63.7 mt-30 -58.06 -42.54 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.822 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -59.55 -45.37 92.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.66 -39.87 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.665 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.7 m -65.16 -42.87 93.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.991 0.425 . . . . 0.0 110.234 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.655 HG13 ' CB ' ' A' ' 6' ' ' ALA . 64.8 t -63.45 -46.59 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.538 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.72 -46.82 77.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.321 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -65.29 -31.61 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.229 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.903 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -71.53 -41.28 69.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.209 0.528 . . . . 0.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.514 HG21 ' HE ' ' A' ' 4' ' ' ARG . 87.7 m -62.03 -47.13 86.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.302 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 74.0 mt-30 -60.93 -36.59 79.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.859 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.654 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -57.92 -46.63 84.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.335 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.647 ' CD2' HD11 ' A' ' 38' ' ' ILE . 65.7 mt -63.69 -46.46 85.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 111.551 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 16.0 pt-20 -71.65 -30.81 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.31 -33.1 24.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.855 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -124.8 -44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.907 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 65.35 45.03 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.995 0.426 . . . . 0.0 110.565 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.593 ' O ' HG13 ' A' ' 38' ' ' ILE . 58.1 mt -149.46 122.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.319 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.917 ' OE1' HG12 ' A' ' 58' ' ' VAL . 43.0 mm-40 -43.35 -49.53 6.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.875 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 36.4 ttpt -61.62 -56.91 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.876 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.465 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -50.53 -42.03 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.352 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.647 HD11 ' CD2' ' A' ' 29' ' ' LEU . 58.2 mt -48.5 -53.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.37 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -66.0 -23.77 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.245 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -69.14 -60.38 2.39 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.654 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -67.46 -44.58 78.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.405 -178.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 25' ' ' ALA . 69.4 mt -61.03 -43.9 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.165 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 5.9 ptpp? -64.38 -44.28 91.82 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.676 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 41' ' ' HIS . 5.2 mm-40 -56.85 -49.42 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.508 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.1 m-85 -69.51 -46.41 66.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.063 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.9 -40.9 70.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -84.21 -42.11 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.607 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -73.61 -60.16 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.359 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.3 m-85 -85.66 -14.41 45.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.016 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.03 145.66 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.437 0 C-N-CA 122.821 0.449 . . . . 0.0 110.0 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -60.01 168.87 5.36 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.124 1.882 . . . . 0.0 112.425 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 88' ' ' SER . 12.9 t -117.88 115.58 25.23 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.904 0.481 . . . . 0.0 110.85 0.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.2 m95 -94.24 129.48 40.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.284 0.564 . . . . 0.0 112.407 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 31.4 m-70 -107.28 141.29 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.739 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.752 ' O ' HD13 ' A' ' 57' ' ' ILE . 53.0 t -144.06 144.52 31.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.559 0.695 . . . . 0.0 112.764 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 56' ' ' CYS . 28.9 mm -144.22 148.03 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.358 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.917 HG12 ' OE1' ' A' ' 35' ' ' GLU . 49.1 t -155.26 137.05 5.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.827 0.346 . . . . 0.0 111.376 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.28 -135.02 2.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.254 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.635 HH21 HD23 ' C' ' 12' ' ' LEU . 15.3 ptm180 -177.88 38.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.678 0.275 . . . . 0.0 111.148 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 43.1 t30 171.09 65.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 57' ' ' ILE . 8.9 p90 -163.63 133.07 4.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.039 0.447 . . . . 0.0 112.027 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -81.11 138.31 19.05 Favored Glycine 0 CA--C 1.517 0.185 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.2 t -126.29 147.37 49.72 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.651 0.726 . . . . 0.0 112.714 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.5 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 23.7 t80 -149.94 128.25 12.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.678 HG11 ' CE2' ' A' ' 86' ' ' PHE . 24.8 t -156.81 169.68 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 87.3 m -124.55 143.79 50.49 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.1 p80 -163.99 150.86 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.795 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HA ' ' H2 ' ' C' ' 1' ' ' MET . 16.5 pt-20 -60.75 144.68 51.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.192 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.567 HG23 ' H3 ' ' C' ' 1' ' ' MET . 69.1 p -56.49 148.58 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.4 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 65.06 36.78 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.684 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.436 ' CG ' ' HG3' ' A' ' 69' ' ' GLU . 62.6 m80 -154.03 54.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.827 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.919 ' CE1' HD11 ' A' ' 84' ' ' LEU . 73.0 t80 -159.25 143.53 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 85' ' ' LEU . 7.1 tt -153.62 138.6 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.596 ' OH ' HG22 ' C' ' 8' ' ' VAL . 4.8 t80 -144.93 134.39 23.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.823 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.9 p90 -164.27 140.03 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.368 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.577 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 16.5 m-30 -73.18 143.37 47.24 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.856 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.952 HD12 ' HB2' ' A' ' 6' ' ' ALA . 5.7 tt -168.6 138.71 2.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.785 0.326 . . . . 0.0 110.818 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.876 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 55.49 39.84 75.44 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.565 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' O ' HG13 ' A' ' 81' ' ' VAL . 53.0 mm-40 56.35 36.48 27.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.809 0.337 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 78' ' ' LEU . 26.8 m -159.05 134.25 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.786 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.538 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -72.65 130.53 40.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.666 HD13 ' HB1' ' A' ' 25' ' ' ALA . 57.0 mt -112.5 139.69 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.919 HD11 ' CE1' ' A' ' 73' ' ' PHE . 57.8 tp -132.59 138.27 47.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD23 ' OG ' ' A' ' 21' ' ' SER . 57.1 tp -158.29 139.81 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.435 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.678 ' CE2' HG11 ' A' ' 66' ' ' VAL . 3.7 p90 -173.98 132.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.285 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -92.6 140.8 29.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.736 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 53' ' ' THR . 48.5 t -116.25 133.04 56.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.521 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 83.9 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.788 0.328 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.21 131.82 50.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 p30 179.91 135.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.901 ' HD2' HG11 ' B' ' 22' ' ' VAL . 1.6 tmm_? -177.84 54.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.052 0.453 . . . . 0.0 110.172 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -64.17 -139.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.337 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.74 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 63.89 128.47 0.01 OUTLIER 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.0 m -87.07 135.77 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 120.981 0.419 . . . . 0.0 111.531 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.849 HG12 ' HB2' ' B' ' 11' ' ' ALA . 6.2 tp -95.12 142.45 13.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.944 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -131.81 -41.32 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 32.9 m120 -115.62 49.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.849 ' HB2' HG12 ' B' ' 8' ' ' ILE . . . -56.9 137.76 54.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.474 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 63.7 t0 -174.37 52.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.47 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 55.2 mtt -158.62 143.57 16.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -46.15 145.17 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 56.2 mt-10 -43.34 -39.65 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.74 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -67.69 -43.44 80.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.678 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.47 ' HB2' ' HB3' ' B' ' 13' ' ' MET . 67.0 mtt -64.51 -47.31 79.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.716 0.293 . . . . 0.0 111.229 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.768 ' O ' HG23 ' B' ' 22' ' ' VAL . 13.7 pt20 -65.27 -37.23 86.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.724 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.0 pt20 -71.66 -37.96 70.72 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.419 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -66.47 -40.2 89.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.012 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.473 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.901 HG11 ' HD2' ' B' ' 4' ' ' ARG . 60.4 t -66.32 -44.53 90.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 19' ' ' GLN . 5.2 mm-40 -68.01 -43.52 78.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.72 -33.46 73.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.934 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -72.57 -39.15 67.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.147 0.498 . . . . 0.0 109.986 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -65.19 -45.93 82.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.446 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 87.8 mt-30 -62.49 -39.31 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.278 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.607 ' HB3' HG23 ' B' ' 38' ' ' ILE . . . -59.12 -44.04 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.358 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.19 -45.06 90.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.562 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 12.1 pt-20 -70.43 -32.61 70.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -83.6 -34.64 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.8 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.463 ' CG ' ' OD2' ' B' ' 37' ' ' ASP . 32.3 m-85 -124.06 -44.78 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' B' ' 32' ' ' TYR . 49.6 t30 68.23 51.77 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' B' ' 37' ' ' ASP . 57.3 mt -145.71 134.99 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.607 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.422 ' OE2' ' HB ' ' B' ' 81' ' ' VAL . 3.7 mm-40 -61.7 -48.66 79.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.512 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.431 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 2.0 tmmm? -69.73 -49.76 50.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.219 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.463 ' OD2' ' CG ' ' B' ' 32' ' ' TYR . 35.4 t70 -61.71 -44.39 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' B' ' 28' ' ' ALA . 0.2 OUTLIER -55.47 -51.16 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.994 0.426 . . . . 0.0 110.667 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -24.01 67.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -67.58 -55.58 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.821 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 -179.108 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.934 HD11 ' HA ' ' B' ' 25' ' ' ALA . 70.7 mt -60.18 -42.94 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.907 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.442 ' O ' ' HD2' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -62.5 -52.51 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.5 pttp -61.36 -43.37 98.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 65.9 mm-40 -59.98 -44.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.613 0.244 . . . . 0.0 111.632 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.589 ' CD2' HD21 ' B' ' 85' ' ' LEU . 15.2 m-85 -64.83 -38.93 92.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.652 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD1' ' B' ' 54' ' ' TRP . 19.4 m-20 -64.44 -38.38 90.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.762 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.629 ' HD3' ' N ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -80.54 -27.79 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.042 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.629 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 27.8 tptp -90.31 -63.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 4.2 m-85 -86.24 -15.11 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 66.4 m-20 95.36 141.59 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.521 0 C-N-CA 122.963 0.505 . . . . 0.0 110.491 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.417 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 28.9 Cg_endo -62.92 167.8 11.55 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.776 2.317 . . . . 0.0 113.283 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.3 t -114.71 127.27 55.66 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 122.436 0.294 . . . . 0.0 111.139 0.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.8 m95 -100.66 130.95 46.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 111.824 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.49 ' CE1' HG23 ' B' ' 53' ' ' THR . 15.6 m-70 -110.27 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.037 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.442 ' HB2' HD13 ' B' ' 85' ' ' LEU . 42.3 t -135.1 148.81 49.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.357 0.599 . . . . 0.0 112.216 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.558 HG21 ' CE2' ' B' ' 62' ' ' PHE . 54.4 mt -149.92 143.77 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.713 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.413 HG12 ' CD ' ' B' ' 35' ' ' GLU . 47.6 t -150.86 140.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 111.363 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.98 -131.98 1.8 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 16.0 ptp180 -172.59 32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 32.5 t30 168.33 81.71 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.723 0.297 . . . . 0.0 110.518 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.558 ' CE2' HG21 ' B' ' 57' ' ' ILE . 4.1 p90 -168.95 133.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.075 0.464 . . . . 0.0 111.77 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.65 133.58 12.59 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -128.18 143.45 51.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 1.7 t80 -152.36 121.13 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.423 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' D' ' 4' ' ' THR . 24.0 t -155.73 163.56 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.411 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.2 m -103.91 158.92 16.08 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.0 p80 -163.52 144.77 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.254 0.55 . . . . 0.0 112.083 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.76 160.41 17.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.377 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.7 p -55.92 142.35 35.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.933 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.623 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 61.28 15.84 6.8 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.477 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.52 ' ND1' ' HG3' ' B' ' 87' ' ' LYS . 57.6 m170 -124.66 69.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.402 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.638 ' CZ ' HG23 ' D' ' 4' ' ' THR . 2.3 t80 -160.9 132.41 5.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.624 HG22 ' O ' ' B' ' 85' ' ' LEU . 11.6 tt -155.55 142.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.06 0.457 . . . . 0.0 111.406 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.542 ' HD2' HD13 ' B' ' 84' ' ' LEU . 5.8 t80 -157.34 134.34 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.141 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.64 ' CE2' HG22 ' B' ' 22' ' ' VAL . 6.8 p90 -166.79 142.63 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.183 0.516 . . . . 0.0 111.819 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.712 ' HE1' ' HB2' ' B' ' 82' ' ' ALA . 68.9 m-85 -83.91 150.81 25.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.162 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' B' ' 6' ' ' ALA . 37.2 tp -155.8 131.57 9.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.781 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.77 -65.27 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.09 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.456 ' HA ' HD21 ' D' ' 12' ' ' LEU . 25.8 pt20 178.89 39.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.422 ' HB ' ' OE2' ' B' ' 35' ' ' GLU . 34.2 m -156.82 137.78 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.344 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.712 ' HB2' ' HE1' ' B' ' 77' ' ' TYR . . . -77.92 130.21 36.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.255 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.502 HD12 ' HE1' ' B' ' 76' ' ' PHE . 62.0 mt -113.08 141.43 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.562 HD21 ' HE2' ' B' ' 86' ' ' PHE . 60.9 tp -141.58 142.01 33.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.624 ' O ' HG22 ' B' ' 74' ' ' ILE . 60.9 tp -160.2 142.33 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.51 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.562 ' HE2' HD21 ' B' ' 84' ' ' LEU . 9.4 p90 -179.11 135.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.032 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.6 ptmt -98.27 170.41 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.671 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.4 t -146.96 132.81 19.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.603 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.415 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.567 ' H3 ' HG23 ' A' ' 70' ' ' THR . 27.8 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -154.91 133.87 12.26 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.271 0.557 . . . . 0.0 111.4 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.696 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 10.1 p-10 -79.83 128.91 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.863 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.493 HG22 ' HB ' ' A' ' 66' ' ' VAL . 10.5 t -78.31 136.4 37.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.071 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.453 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -133.04 120.2 2.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.332 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.791 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.5 pp -160.32 141.97 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.974 0.416 . . . . 0.0 111.193 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.469 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.8 pt20 -115.3 113.3 23.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.596 HG22 ' OH ' ' A' ' 75' ' ' TYR . 37.0 t -89.29 44.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.79 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.27 -0.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.665 ' CB ' HD13 ' C' ' 12' ' ' LEU . 45.7 mtp85 -64.17 139.42 58.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 0.0 110.618 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.87 46.41 0.68 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.665 HD13 ' CB ' ' C' ' 10' ' ' ARG . 7.2 mp -82.78 54.19 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 111.067 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -55.22 132.66 48.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.49 -136.01 49.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.354 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.92 -49.4 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.673 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' C' ' 17' ' ' HIS . 77.9 p 178.27 135.37 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.774 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' C' ' 16' ' ' SER . 91.3 m-70 -159.72 -52.25 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.385 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.884 0.373 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' B' ' 68' ' ' HIS . 97.6 mttt -158.18 144.1 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.599 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 2.5 p30 -94.96 127.76 41.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.333 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.638 HG23 ' CZ ' ' B' ' 73' ' ' PHE . 42.4 m -73.26 147.13 44.87 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.999 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.583 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -157.15 127.63 1.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.646 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.974 HD13 HG23 ' D' ' 8' ' ' VAL . 2.8 pp -161.59 138.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.994 0.425 . . . . 0.0 111.299 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' D' ' 7' ' ' GLN . 11.1 pt20 -104.12 82.71 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.974 HG23 HD13 ' D' ' 6' ' ' ILE . 62.7 t -69.7 133.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.812 0.339 . . . . 0.0 110.955 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 57.7 m-20 -159.19 43.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.618 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.687 ' HD2' HD13 ' D' ' 12' ' ' LEU . 11.7 tpt180 59.65 43.76 15.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -84.18 48.17 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.468 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.687 HD13 ' HD2' ' D' ' 10' ' ' ARG . 4.4 mp -86.21 46.41 1.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.74 0.305 . . . . 0.0 111.289 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -177.8 126.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.965 0.412 . . . . 0.0 110.968 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.56 52.38 4.46 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.633 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -170.83 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.675 0.274 . . . . 0.0 111.233 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 78.7 p -168.15 140.87 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 111.09 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -54.58 135.68 46.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.065 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' LYS . . . . . 0.468 ' HB2' ' NZ ' ' D' ' 18' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.12 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.777 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -178.51 133.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.596 ' HG3' HG21 ' A' ' 26' ' ' THR . 5.3 tmm_? -177.17 129.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.427 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 4' ' ' ARG . 23.1 tptm -176.43 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.065 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.634 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 60.27 127.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -86.42 137.3 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 112.144 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.617 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -82.58 150.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.805 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -141.43 -44.11 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.415 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.492 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -126.29 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.184 -179.515 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -60.77 140.03 57.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -172.56 56.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.284 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 19.6 ptm -172.48 172.42 4.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.969 0.414 . . . . 0.0 111.293 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.8 m -48.06 142.57 5.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.678 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 56.1 mt-10 -56.95 -45.62 82.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.559 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.61 -43.2 99.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.271 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.433 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 65.9 mtt -58.88 -51.06 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.324 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.761 ' CB ' HD12 ' A' ' 74' ' ' ILE . 11.6 pt20 -58.27 -38.27 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.411 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 97.6 mm-40 -65.63 -44.32 86.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.24 -37.18 86.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.413 ' OG ' HD23 ' A' ' 85' ' ' LEU . 48.1 t -66.5 -45.62 78.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 18' ' ' GLN . 57.7 t -62.82 -48.37 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.616 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.63 -41.5 92.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.188 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.85 -35.46 80.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.847 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.866 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -67.69 -38.32 83.53 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.236 0.541 . . . . 0.0 109.616 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.596 HG21 ' HG3' ' A' ' 4' ' ' ARG . 87.4 m -60.6 -44.11 96.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -59.94 -44.64 94.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.355 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.93 -42.34 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.759 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.844 HD23 HD11 ' A' ' 38' ' ' ILE . 51.6 mt -60.39 -50.26 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.57 -31.13 71.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 60.0 mttp -79.28 -32.56 43.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.713 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 5.8 m-85 -139.61 -44.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 112.168 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.659 ' O ' HD13 ' A' ' 34' ' ' ILE . 0.3 OUTLIER 69.65 53.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 110.583 -179.383 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 33' ' ' ASN . 49.5 mm -145.29 127.34 9.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -48.35 -50.27 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.558 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 35.1 ttpt -62.32 -56.96 13.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.457 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -55.51 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.011 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.844 HD11 HD23 ' A' ' 29' ' ' LEU . 96.6 mt -50.5 -43.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 0.0 111.397 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.25 81.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.563 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB1' ' NZ ' ' A' ' 44' ' ' LYS . . . -67.68 -45.67 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 32' ' ' TYR . 17.4 m-70 -63.7 -52.04 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 111.795 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.866 HD11 ' HA ' ' A' ' 25' ' ' ALA . 55.6 mt -63.13 -49.64 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.06 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 43' ' ' LYS . 5.8 tmmm? -56.33 -57.52 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' NZ ' ' HB1' ' A' ' 40' ' ' ALA . 58.3 mttp -60.79 -42.74 98.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' OE2' ' HE2' ' A' ' 49' ' ' LYS . 34.4 tp10 -53.36 -50.15 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.83 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.473 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 14.2 m-85 -69.94 -41.4 74.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 58.0 m-20 -52.41 -32.89 41.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.901 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.49 -46.23 23.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.661 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HE2' ' OE2' ' A' ' 45' ' ' GLU . 67.4 mttm -82.38 -60.51 2.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.2 m-85 -81.32 -17.84 47.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.0 m120 90.17 143.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.315 0 C-N-CA 122.698 0.399 . . . . 0.0 110.167 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.0 Cg_endo -60.42 167.97 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.426 2.084 . . . . 0.0 113.074 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 9.0 t -113.1 132.11 55.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.679 0.392 . . . . 0.0 111.304 0.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.576 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 33.0 m95 -106.78 132.14 53.09 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.189 0.519 . . . . 0.0 111.823 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.495 ' ND1' HG13 ' B' ' 66' ' ' VAL . 15.6 m-70 -107.73 134.86 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.891 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -138.84 151.86 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.423 0.63 . . . . 0.0 112.41 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.542 HG23 ' O ' ' B' ' 63' ' ' GLY . 55.0 mt -150.21 144.7 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.664 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -146.95 129.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 111.102 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.81 -132.82 1.9 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.183 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.687 ' HD2' HD12 ' C' ' 12' ' ' LEU . 38.8 ptt180 -179.01 36.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 13.4 t-20 171.37 78.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.301 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.488 ' CD2' ' CB ' ' B' ' 62' ' ' PHE . 23.4 p90 -167.24 133.68 2.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -83.47 133.19 11.66 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 177.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.52 ' HB3' HD11 ' C' ' 6' ' ' ILE . 43.8 t -128.04 144.07 51.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.848 0.824 . . . . 0.0 113.092 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.457 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 0.9 OUTLIER -149.49 121.72 8.37 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.447 178.694 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.57 HG12 ' N ' ' A' ' 67' ' ' THR . 21.5 t -153.54 168.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.405 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.804 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 92.5 m -119.68 143.18 47.87 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.7 p80 -163.56 152.88 14.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.008 0.432 . . . . 0.0 111.59 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -58.67 138.21 57.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.991 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.408 HG22 ' CG ' ' C' ' 2' ' ' LYS . 60.9 p -58.31 147.97 29.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.221 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.649 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 7.1 mmpt? 67.53 36.4 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.129 0.49 . . . . 0.0 110.206 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -153.57 48.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.292 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.659 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 7.1 t80 -156.54 146.57 21.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.085 0.469 . . . . 0.0 111.412 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.761 HD12 ' CB ' ' A' ' 18' ' ' GLN . 9.8 tt -159.88 141.69 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.247 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.733 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.6 t80 -135.44 135.74 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.379 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 8.5 p90 -165.69 140.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.171 0.51 . . . . 0.0 112.06 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 6.1 m-85 -83.46 154.72 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.634 HD13 ' HB2' ' A' ' 6' ' ' ALA . 55.5 tp -161.25 136.9 7.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.46 . . . . 0.0 111.685 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 67.44 -66.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.953 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 51.0 tt0 179.8 36.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.099 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.2 m -159.45 134.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.607 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.09 122.65 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' HE1' ' A' ' 76' ' ' PHE . 58.4 mt -100.7 143.05 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.04 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.733 HD13 ' HD2' ' A' ' 75' ' ' TYR . 64.0 tp -134.23 139.92 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.413 HD23 ' OG ' ' A' ' 21' ' ' SER . 56.3 tp -158.52 136.75 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.487 ' CB ' ' HA ' ' A' ' 73' ' ' PHE . 4.3 p90 -174.36 127.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 20.9 ptmt -96.06 170.39 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.286 0.565 . . . . 0.0 111.826 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.462 ' O ' HG22 ' A' ' 53' ' ' THR . 58.6 m -148.33 133.02 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.65 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.285 -1.286 . . . . 0.0 112.353 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.781 0.324 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' CYS . . . . . 0.418 ' HB3' ' CZ ' ' B' ' 4' ' ' ARG . 42.5 t -175.83 42.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.69 38.78 11.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.661 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.418 ' CZ ' ' HB3' ' B' ' 2' ' ' CYS . 1.0 OUTLIER -95.15 35.43 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 111.096 179.147 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.978 ' HE3' HD11 ' B' ' 78' ' ' LEU . 0.0 OUTLIER -54.67 -29.88 53.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.957 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -53.06 127.07 22.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.095 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 25.8 m -91.67 137.04 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 111.609 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.619 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -83.49 128.74 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.178 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.627 ' HE3' ' HA ' ' B' ' 9' ' ' LYS . 0.0 OUTLIER -86.89 -42.06 13.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.23 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -171.22 63.69 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.83 0.347 . . . . 0.0 111.349 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.24 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 59.1 m-20 -156.59 61.74 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 111.459 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 22.0 ptm -173.24 -174.08 0.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.964 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.0 m -53.8 137.1 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.331 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.3 pt-20 -56.33 -44.9 80.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.403 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.535 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.5 pt-20 -58.06 -45.96 86.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.503 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.66 -46.42 88.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.82 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.6 pt20 -66.73 -38.27 86.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.604 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.535 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 14.8 pt20 -73.29 -36.01 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.511 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -69.9 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.698 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -67.58 -42.39 82.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 0.0 110.079 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.82 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.4 t -63.74 -48.95 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.393 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.18 -43.28 87.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.882 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.12 -36.18 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.674 ' CA ' HD11 ' B' ' 42' ' ' ILE . . . -67.74 -45.52 74.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.454 HG23 ' HE2' ' B' ' 5' ' ' LYS . 87.1 m -54.63 -42.04 70.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.187 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 18.3 tt0 -59.75 -43.38 94.29 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.043 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.49 -44.97 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.211 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.498 ' HG ' HD11 ' B' ' 38' ' ' ILE . 7.4 mp -61.06 -48.06 83.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.83 0.348 . . . . 0.0 111.37 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 22.9 pt-20 -67.92 -31.12 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.586 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' B' ' 27' ' ' GLN . 55.9 mtpt -79.43 -27.53 41.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.702 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.549 ' CE2' ' CE1' ' B' ' 41' ' ' HIS . 57.0 m-85 -146.56 -43.02 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.2 t30 70.23 51.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.087 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.2 mt -134.5 126.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.87 -47.76 60.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -65.71 -55.67 16.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 0.0 111.848 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.47 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.4 m-20 -54.11 -44.75 71.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.451 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.53 ' HA ' ' HB1' ' B' ' 28' ' ' ALA . 97.3 mt -47.04 -48.31 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.811 ' HB1' ' SG ' ' B' ' 56' ' ' CYS . . . -59.91 -37.92 80.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.457 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -63.68 -48.89 75.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.549 ' CE1' ' CE2' ' B' ' 32' ' ' TYR . 34.3 m-70 -57.9 -50.99 71.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 110.656 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.674 HD11 ' CA ' ' B' ' 25' ' ' ALA . 61.8 mt -67.35 -34.0 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.641 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' B' ' 47' ' ' ASP . 29.2 tptp -57.87 -68.67 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.568 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.48 -43.8 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -53.17 -48.37 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.497 ' CE1' HG23 ' B' ' 42' ' ' ILE . 5.7 m-85 -75.02 -42.87 56.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 58.2 m-20 -57.99 -40.09 79.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 110.959 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -74.43 -41.13 61.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.841 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.37 -70.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.3 m-85 -78.77 -13.67 59.69 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -177.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 61.8 m-20 92.91 143.0 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 122.726 0.411 . . . . 0.0 110.496 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.439 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 35.3 Cg_endo -64.67 171.28 8.59 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.533 2.155 . . . . 0.0 113.101 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.71 HG22 ' O ' ' B' ' 88' ' ' SER . 12.6 t -117.37 114.96 24.31 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.24 0.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -88.63 120.66 30.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.874 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.432 ' CD2' ' HG ' ' B' ' 88' ' ' SER . 35.0 m-70 -89.2 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.811 ' SG ' ' HB1' ' B' ' 39' ' ' ALA . 18.2 p -142.3 143.16 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.599 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.736 HD13 ' O ' ' B' ' 56' ' ' CYS . 28.7 mm -143.33 149.54 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.73 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -153.56 132.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.362 . . . . 0.0 111.257 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.01 -135.06 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.602 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.5 ptt180 -176.86 37.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.661 0.267 . . . . 0.0 111.082 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 3.8 t30 165.31 81.64 0.0 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.209 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.84 ' CE1' HG21 ' D' ' 8' ' ' VAL . 18.3 p90 -176.4 140.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -93.71 142.08 15.84 Favored Glycine 0 N--CA 1.454 -0.135 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.937 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -144.31 146.35 32.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 117.861 0.83 . . . . 0.0 113.051 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' D' ' 4' ' ' THR . 14.7 m-85 -139.25 136.45 34.96 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.168 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.53 ' HB ' HG22 ' D' ' 4' ' ' THR . 17.1 t -158.41 158.19 2.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.647 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.407 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.0 m -105.51 152.51 22.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -169.16 147.21 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.01 156.86 34.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.17 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.636 HG23 ' H2 ' ' D' ' 1' ' ' MET . 77.2 p -61.95 157.1 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.62 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.609 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 66.04 36.78 5.59 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.235 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.0 m-70 -163.47 69.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.475 ' HB3' ' HB2' ' B' ' 12' ' ' ASP . 1.5 t80 -154.59 127.24 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.652 ' O ' HD12 ' B' ' 84' ' ' LEU . 13.2 tt -154.83 146.15 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.294 0.568 . . . . 0.0 111.718 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.768 ' HD2' HD13 ' B' ' 84' ' ' LEU . 2.1 t80 -155.66 136.56 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.135 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.548 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.9 p90 -165.24 142.27 5.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -78.85 149.75 32.43 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.988 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.978 HD11 ' HE3' ' B' ' 5' ' ' LYS . 28.1 tp -158.05 133.61 8.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 111.895 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 80' ' ' GLN . . . 66.77 -66.48 0.18 Allowed Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.868 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.587 ' HG2' HD13 ' D' ' 12' ' ' LEU . 39.7 tt0 179.0 38.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.096 0.474 . . . . 0.0 109.837 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.427 HG13 ' O ' ' B' ' 80' ' ' GLN . 31.5 m -159.42 137.83 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.176 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -71.68 137.67 48.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.6 mt -122.33 141.62 42.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.288 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' B' ' 75' ' ' TYR . 54.8 tp -136.11 139.65 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.61 ' O ' HG22 ' B' ' 74' ' ' ILE . 53.3 tp -154.43 141.45 19.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.029 0.443 . . . . 0.0 111.141 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 3.3 p90 -178.45 128.22 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.948 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.761 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.5 ptpt -80.06 164.34 23.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.178 0.513 . . . . 0.0 111.684 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.71 ' O ' HG22 ' B' ' 53' ' ' THR . 62.3 m -146.56 134.27 21.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.693 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.526 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.789 0.328 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' C' ' 2' ' ' LYS . 0.1 OUTLIER -164.52 142.86 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 110.983 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.804 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -86.99 132.87 33.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.33 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.9 t -74.79 143.59 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.615 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -143.76 118.55 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.44 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.615 HG23 ' O ' ' C' ' 5' ' ' GLY . 2.5 pp -163.09 168.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.422 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.2 pt20 -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.634 HG21 ' OH ' ' A' ' 75' ' ' TYR . 53.6 t -119.09 136.83 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.803 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.22 -0.445 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -71.55 129.65 39.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -83.53 52.35 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.687 HD12 ' HD2' ' A' ' 60' ' ' ARG . 81.3 mt -53.54 -27.95 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.856 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 62.98 135.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.87 39.57 2.74 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.897 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 pttt 177.22 126.52 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.633 0.254 . . . . 0.0 110.318 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t 62.21 135.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.629 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -58.02 126.76 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' C' ' 18' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.636 ' H2 ' HG23 ' B' ' 70' ' ' THR . 3.5 mpp? . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 120.67 0.271 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -158.94 136.03 9.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.8 p-10 -73.74 119.48 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.831 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.53 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.9 t -69.65 138.58 53.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.709 178.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.637 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -142.88 125.05 2.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.013 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.886 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -162.15 146.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.229 0.538 . . . . 0.0 111.992 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 15.2 pt20 -125.18 108.32 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.84 HG21 ' CE1' ' B' ' 62' ' ' PHE . 23.9 t -72.15 131.69 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -161.57 48.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.401 ' HG2' HD21 ' D' ' 12' ' ' LEU . 29.8 tpt180 -55.6 134.37 50.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -76.43 54.31 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.297 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.587 HD13 ' HG2' ' B' ' 80' ' ' GLN . 79.6 mt -78.29 46.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.481 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -161.21 -47.43 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.82 -133.18 2.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.371 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.44 -43.55 93.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' D' ' 17' ' ' HIS . 80.4 p -177.44 130.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 17' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' D' ' 16' ' ' SER . 91.9 m-70 -161.18 -44.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.765 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.1 p -179.02 136.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 63.15 136.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -60.46 133.49 56.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 31.8 mmmt -157.99 -105.4 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.573 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.812 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 67.74 129.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.936 0.398 . . . . 0.0 111.24 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.25 139.58 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.221 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.5 mp -79.76 147.24 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.953 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.96 -36.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 76.2 m-20 -143.47 48.67 1.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.624 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.12 143.75 56.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.499 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -162.29 54.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 111.496 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.5 ptp -169.68 -174.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -60.94 143.06 55.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.034 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -54.45 -43.06 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.617 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 17' ' ' MET . 12.3 pt-20 -58.03 -47.79 82.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.819 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 67.5 mtt -57.21 -51.12 70.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.697 0.284 . . . . 0.0 111.585 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.891 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 pt20 -60.5 -37.2 80.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.121 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.27 -44.08 80.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.121 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.527 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m-20 -65.45 -37.64 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -66.88 -41.16 87.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.236 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.896 HG22 ' CE2' ' A' ' 76' ' ' PHE . 59.9 t -64.87 -48.63 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.678 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -67.47 -41.88 83.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.13 -33.35 75.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.809 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.92 -40.82 75.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 109.775 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -60.23 -48.14 83.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.257 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 73.5 mt-30 -58.25 -38.73 77.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.676 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -54.1 -49.58 68.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.904 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.839 ' CD2' HD11 ' A' ' 38' ' ' ILE . 63.3 mt -58.73 -43.8 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.79 -33.69 73.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.435 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -87.71 -44.8 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.514 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 92.6 m-85 -110.35 -45.91 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.868 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.539 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER 67.88 43.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 110.161 -179.281 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.569 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.5 mt -153.44 122.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.461 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.648 ' HA ' HD12 ' A' ' 38' ' ' ILE . 11.8 pt-20 -43.94 -44.56 7.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.018 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.89 -58.81 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.434 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HB3' ' CG ' ' A' ' 32' ' ' TYR . 57.4 m-20 -57.45 -42.83 83.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.549 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.839 HD11 ' CD2' ' A' ' 29' ' ' LEU . 91.8 mt -48.42 -52.59 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.156 0.503 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.677 ' HB1' ' CB ' ' A' ' 56' ' ' CYS . . . -64.75 -30.47 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.325 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.26 -62.83 1.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.506 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -61.93 -47.25 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.303 -178.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.809 HD11 ' HA ' ' A' ' 25' ' ' ALA . 83.4 mt -57.38 -38.86 64.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.237 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -61.33 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.155 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -57.56 -44.22 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.746 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.16 -52.64 64.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.653 0.263 . . . . 0.0 111.053 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.639 ' CD2' HD21 ' A' ' 85' ' ' LEU . 44.6 m-85 -66.15 -42.0 89.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.675 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 6.3 t0 -59.82 -36.4 76.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.506 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.56 -44.31 19.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.316 -179.228 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.0 -66.89 0.79 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.564 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.1 m-85 -79.06 -20.55 48.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.633 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.3 143.6 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.656 0.382 . . . . 0.0 110.205 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.44 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 13.6 Cg_endo -57.4 170.51 1.7 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.631 2.22 . . . . 0.0 113.102 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 88' ' ' SER . 13.5 t -116.74 109.66 17.43 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 121.05 0.453 . . . . 0.0 111.193 0.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.759 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.0 m95 -85.77 124.29 32.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.462 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.499 ' HD1' HG13 ' B' ' 66' ' ' VAL . 45.1 m-70 -91.44 131.29 37.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.986 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.677 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . 80.1 m -120.56 139.99 52.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.237 0.541 . . . . 0.0 111.856 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.437 HG23 ' O ' ' B' ' 63' ' ' GLY . 56.7 mt -151.49 137.55 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.674 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -153.21 135.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.468 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.4 -132.07 1.86 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.706 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 26.3 ptt-85 -178.89 35.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 38.4 t30 167.71 81.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.648 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 15.1 p90 -166.92 138.08 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.425 0.631 . . . . 0.0 112.618 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.64 142.32 16.02 Favored Glycine 0 N--CA 1.454 -0.164 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.8 m -159.84 154.64 24.44 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 22.0 m-85 -144.03 142.42 30.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.067 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 67' ' ' THR . 54.2 t -157.46 166.73 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.602 ' N ' HG12 ' A' ' 66' ' ' VAL . 91.5 m -126.24 142.41 51.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.9 p80 -162.65 151.88 15.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.653 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt-20 -60.82 145.71 48.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.2 p -59.77 152.75 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.692 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 66.58 37.54 4.43 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.146 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.427 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 64.3 m80 -157.54 56.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 5.6 t80 -164.76 144.91 7.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.148 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.872 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -158.37 135.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.07 0.462 . . . . 0.0 111.25 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.872 ' N ' HD13 ' A' ' 74' ' ' ILE . 45.3 t80 -134.16 142.42 47.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.653 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.896 ' CE2' HG22 ' A' ' 22' ' ' VAL . 1.1 p90 -169.92 137.84 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.145 0.497 . . . . 0.0 111.999 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -83.0 154.82 24.28 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.146 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.812 HD13 ' HB2' ' A' ' 6' ' ' ALA . 51.3 tp -161.09 131.27 5.04 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.99 -66.47 0.13 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.236 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.463 ' O ' HG13 ' A' ' 81' ' ' VAL . 26.3 pt20 -178.62 36.86 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.079 0.466 . . . . 0.0 110.173 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.1 m -160.34 135.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -82.43 125.27 30.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 83' ' ' ILE . 3.2 mp -103.77 140.07 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.262 178.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 64.3 tp -136.8 138.8 41.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.639 HD21 ' CD2' ' A' ' 46' ' ' PHE . 58.0 tp -156.66 139.41 15.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.828 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.529 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 2.6 p90 -176.2 128.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.437 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.759 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -81.54 163.5 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -179.654 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.735 ' O ' HG22 ' A' ' 53' ' ' THR . 47.1 t -141.81 132.92 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.833 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.529 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.795 0.331 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 85.3 m 63.08 139.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -157.79 134.43 9.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 59.12 42.14 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.583 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.751 ' HE3' HD11 ' B' ' 78' ' ' LEU . 0.0 OUTLIER -46.99 -27.78 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.135 179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.913 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -47.79 132.97 14.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.797 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -96.56 137.06 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.631 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -88.64 144.35 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -124.15 -50.36 1.8 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.496 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -100.05 -58.92 1.81 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.351 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.777 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . 60.93 136.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.046 0.451 . . . . 0.0 111.677 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 36.8 t70 -179.58 48.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.207 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.852 ' HE2' ' HB3' ' B' ' 17' ' ' MET . 86.4 mtp -152.38 138.38 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.632 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 63.2 p -45.13 147.35 0.73 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.2 pt-20 -39.25 -46.23 1.49 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.512 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 23.0 pt-20 -65.2 -44.3 88.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.787 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.852 ' HB3' ' HE2' ' B' ' 13' ' ' MET . 90.1 mtp -63.78 -45.14 91.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.289 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.791 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.1 pt20 -67.49 -38.77 84.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.652 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 15.0 pt20 -71.56 -32.54 68.21 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.408 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -69.5 -40.78 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.521 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -69.24 -44.59 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.037 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 18' ' ' GLN . 62.0 t -66.17 -43.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.427 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -69.06 -42.54 76.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.61 -34.97 79.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.689 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.38 -38.55 78.07 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.185 0.517 . . . . 0.0 109.875 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -59.92 -45.91 91.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.173 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.3 -38.85 88.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.806 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.49 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -55.26 -46.06 76.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.287 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.718 ' CD2' HD11 ' B' ' 38' ' ' ILE . 70.6 mt -64.32 -45.54 87.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.66 -32.92 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.231 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -84.32 -35.18 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.979 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -121.74 -44.48 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.841 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 64.95 41.58 4.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.9 mt -152.74 112.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.449 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.666 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.7 OUTLIER -41.3 -41.91 2.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.26 -179.385 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -59.02 -56.16 25.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.241 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -61.95 -40.49 95.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.698 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.718 HD11 ' CD2' ' B' ' 29' ' ' LEU . 81.6 mt -46.45 -54.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.41 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.114 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -67.69 -63.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.49 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.86 -46.55 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.661 -178.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.689 HD11 ' HA ' ' B' ' 25' ' ' ALA . 68.3 mt -59.61 -46.71 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.612 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.47 ' HB3' ' NZ ' ' B' ' 43' ' ' LYS . 4.5 ttpm? -58.03 -50.0 74.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.774 0.321 . . . . 0.0 111.158 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -59.31 -45.06 92.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.562 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.54 -49.09 73.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 111.056 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' B' ' 85' ' ' LEU . 28.7 m-85 -63.5 -45.95 88.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.565 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 64.4 m-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.407 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.5 tmtp? -76.12 -40.7 52.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.433 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -82.62 -60.87 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.27 -21.47 31.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 64.0 m-20 93.54 142.27 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 122.656 0.382 . . . . 0.0 109.995 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.98 168.65 0.79 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.311 2.008 . . . . 0.0 112.786 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 88' ' ' SER . 9.9 t -117.87 118.97 33.46 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 122.63 0.372 . . . . 0.0 111.256 0.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.621 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.9 m95 -94.11 127.6 40.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.344 0.592 . . . . 0.0 112.368 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.534 ' ND1' HG13 ' A' ' 66' ' ' VAL . 32.7 m-70 -101.39 137.79 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.125 178.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.6 t -139.64 149.4 43.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.347 0.594 . . . . 0.0 112.273 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.497 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 62.9 mt -150.73 143.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.803 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 58.2 t -155.1 132.44 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 111.418 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 173.88 -141.63 6.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.692 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.725 ' CZ ' HD12 ' D' ' 12' ' ' LEU . 25.3 mmt180 -160.44 37.85 0.17 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 163.97 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.648 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 9.7 p90 -164.78 141.91 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -89.59 142.28 16.58 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 55.4 m -144.68 145.41 31.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.567 0.683 . . . . 0.0 112.512 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.478 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 3.7 t80 -152.31 129.78 11.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.257 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.624 HG12 ' N ' ' B' ' 67' ' ' THR . 45.7 t -158.33 168.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.121 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.624 ' N ' HG12 ' B' ' 66' ' ' VAL . 99.6 m -124.5 142.09 51.59 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -161.29 148.22 14.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.091 0.472 . . . . 0.0 112.073 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.74 154.44 33.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.21 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.464 HG23 ' H1 ' ' D' ' 1' ' ' MET . 74.5 p -62.85 154.32 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.675 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.61 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.14 38.45 8.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 88.9 m-70 -162.84 69.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.274 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.656 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 5.5 t80 -176.86 145.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.444 ' O ' HG23 ' B' ' 74' ' ' ILE . 11.9 tt -163.32 125.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.123 0.487 . . . . 0.0 111.842 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.478 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 45.5 t80 -117.87 136.44 53.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.151 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.9 p90 -170.04 138.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.004 0.431 . . . . 0.0 111.546 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -78.85 147.2 33.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.913 HD13 ' HB2' ' B' ' 6' ' ' ALA . 48.2 tp -162.63 144.96 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.82 39.64 68.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.322 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.463 ' O ' HG13 ' B' ' 81' ' ' VAL . 10.0 mm100 59.67 36.75 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.608 0.242 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 78' ' ' LEU . 28.8 m -159.92 136.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.478 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.44 136.66 51.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' B' ' 78' ' ' LEU . 60.8 mt -127.67 143.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 63.0 tp -139.38 140.76 37.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.691 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.532 HD21 ' CE2' ' B' ' 46' ' ' PHE . 57.6 tp -153.61 138.73 17.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.759 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.656 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.2 p90 -177.56 131.31 0.16 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 63.5 pttt -91.73 148.69 22.06 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.182 0.515 . . . . 0.0 111.882 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.625 ' O ' HG22 ' B' ' 53' ' ' THR . 46.8 t -119.64 129.55 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.673 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.597 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.506 ' HE3' HG22 ' A' ' 67' ' ' THR . 93.9 mmm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.792 0.329 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.496 ' NZ ' ' HB3' ' C' ' 2' ' ' LYS . 8.4 mtpm? -158.18 130.42 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.568 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 43.5 p-10 -76.57 120.45 21.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.635 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.529 HG21 ' HE2' ' A' ' 73' ' ' PHE . 11.7 t -80.25 132.8 35.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.257 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.02 134.05 9.05 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.799 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 pt -153.59 167.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.517 0.675 . . . . 0.0 112.261 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 2.9 tp60 -158.74 76.77 0.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.841 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.555 HG22 ' OH ' ' A' ' 75' ' ' TYR . 48.1 t -69.37 146.24 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.793 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.672 -0.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -66.51 134.49 52.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.435 ' HA ' ' HD2' ' C' ' 18' ' ' LYS . 9.4 t70 -176.57 51.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.415 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.576 HD12 ' N ' ' C' ' 12' ' ' LEU . 5.3 mp -75.58 45.32 0.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.184 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -135.94 141.75 44.53 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.669 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.81 -133.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.659 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.464 ' HB3' ' NZ ' ' C' ' 15' ' ' LYS . 7.9 mtpm? -59.42 -41.87 90.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 111.171 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 51.8 m -57.83 127.45 32.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 111.235 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -79.65 138.09 37.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' C' ' 11' ' ' ASP . 28.0 mtpp . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.81 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.464 ' H1 ' HG23 ' B' ' 70' ' ' THR . 1.9 mpt? . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 120.735 0.302 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' D' ' 2' ' ' LYS . 5.8 mmpt? -148.56 132.55 17.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 110.816 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.3 p-10 -75.59 122.61 24.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.548 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.525 HG22 ' HB ' ' B' ' 66' ' ' VAL . 12.7 t -76.32 137.66 40.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -135.34 127.06 4.2 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.975 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 47.5 pt -157.5 170.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.092 0.473 . . . . 0.0 111.432 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -162.15 87.58 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.985 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.2 t -69.5 146.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.341 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.6 t70 -179.68 44.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.113 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.501 ' N ' ' HD2' ' D' ' 10' ' ' ARG . 0.4 OUTLIER -75.56 -44.86 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.647 -179.463 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 63.51 45.54 4.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.18 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.725 HD12 ' CZ ' ' B' ' 60' ' ' ARG . 67.6 mt -75.49 55.42 0.81 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.421 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.01 135.08 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.078 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.36 -122.16 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.52 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -48.28 -42.61 31.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -61.22 136.98 58.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.611 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -50.37 -47.66 56.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.182 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' LYS . . . . . 0.436 ' HE2' ' CB ' ' A' ' 61' ' ' ASN . 21.7 pttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' HG2' ' A' ' 1' ' ' MET . 51.3 ttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 121.055 0.455 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.9 m -63.66 -45.45 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.37 56.12 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.349 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 28.9 tpt180 -87.77 43.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.0 0.428 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -79.48 -133.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.287 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.741 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . 64.21 128.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.786 0.326 . . . . 0.0 111.565 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 23.9 m -108.72 137.92 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.783 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.846 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -85.09 138.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.799 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -119.42 -48.32 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.372 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.486 HD21 ' HZ ' ' A' ' 73' ' ' PHE . 55.5 m-20 -93.7 -58.52 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.846 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . 61.2 129.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.511 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 64.8 t0 179.03 47.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.057 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.485 ' HE3' ' N ' ' A' ' 73' ' ' PHE . 58.8 mtt -157.93 144.95 18.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.629 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -49.38 144.66 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.64 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -42.13 -40.54 2.35 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.47 -45.79 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.468 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.412 ' HB3' ' HB3' ' A' ' 13' ' ' MET . 46.7 ttm -60.69 -50.32 73.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.667 0.27 . . . . 0.0 111.154 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.9 pt20 -61.77 -35.54 78.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.364 . . . . 0.0 110.469 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.11 -44.56 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -36.95 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.685 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.7 m -64.56 -43.4 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.986 0.422 . . . . 0.0 109.925 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' GLN . 75.5 t -63.27 -47.47 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.66 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.8 -44.64 85.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.1 m -63.63 -32.51 74.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.716 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -71.31 -38.37 71.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.436 ' HA ' HD12 ' A' ' 29' ' ' LEU . 87.2 m -62.41 -47.32 84.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.349 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.1 tt0 -60.2 -48.73 80.5 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.938 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.949 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -53.19 -35.41 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.825 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 38' ' ' ILE . 44.8 mt -63.09 -54.92 30.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.035 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 20.4 pt-20 -59.19 -21.11 58.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.081 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 31.3 mmmt -71.13 -40.65 71.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -153.75 -45.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 179.176 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER 67.87 57.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 34' ' ' ILE . 30.8 mt -136.44 29.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 38' ' ' ILE . 8.1 mp0 64.29 -63.47 0.16 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.424 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.3 ttpm? -56.61 -57.0 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 111.441 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.591 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 m-20 -58.35 -40.31 81.84 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.199 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.949 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 56.1 mt -49.83 -46.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.312 0.577 . . . . 0.0 110.07 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -67.02 -25.86 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.988 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 37' ' ' ASP . . . -62.52 -47.88 82.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.441 . . . . 0.0 110.692 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.485 ' NE2' ' HG3' ' A' ' 31' ' ' LYS . 66.4 m-70 -68.41 -47.49 67.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.379 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.789 ' CG2' HD22 ' A' ' 85' ' ' LEU . 60.9 mt -63.25 -44.55 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.013 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 39' ' ' ALA . 14.9 ptmm? -62.93 -48.22 79.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.663 0.268 . . . . 0.0 111.576 -179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 67.1 mttm -70.26 -44.6 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -54.47 -51.74 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.479 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -70.09 -41.49 73.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 5.2 t0 -57.88 -37.18 73.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.44 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.2 tmtt? -75.98 -45.36 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.784 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -81.94 -64.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -76.38 -21.97 55.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.552 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 35.4 t30 92.2 137.44 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.475 0 O-C-N 123.289 0.368 . . . . 0.0 110.25 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.432 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 8.0 Cg_endo -50.52 169.77 0.15 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.772 2.315 . . . . 0.0 113.269 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.889 HG22 ' O ' ' A' ' 88' ' ' SER . 12.9 t -117.41 106.64 13.43 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.161 0.505 . . . . 0.0 111.416 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.73 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.3 m95 -85.88 122.46 29.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.102 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.466 ' ND1' HG13 ' B' ' 66' ' ' VAL . 32.3 m-70 -96.35 133.87 40.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.818 ' C ' HD12 ' A' ' 57' ' ' ILE . 42.8 t -132.7 138.61 47.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.396 0.617 . . . . 0.0 112.401 -178.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.927 HD13 HD23 ' A' ' 84' ' ' LEU . 2.7 mp -137.67 139.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.378 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.9 t -144.77 137.16 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 111.305 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.83 -133.27 2.59 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.06 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.5 ptt180 -179.72 37.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.737 0.304 . . . . 0.0 111.564 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 45.2 t30 174.19 77.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.355 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.745 ' CE2' HG21 ' A' ' 57' ' ' ILE . 5.7 p90 -170.08 134.96 1.3 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 0.0 111.796 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -107.36 139.24 14.9 Favored Glycine 0 N--CA 1.455 -0.059 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.487 ' HB3' HG23 ' B' ' 57' ' ' ILE . 79.0 p -161.11 165.08 30.17 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.758 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 13.6 m-85 -133.8 148.41 51.34 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.173 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 16.0 t -157.85 166.29 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.542 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.8 m -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.1 p80 -165.21 143.41 6.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.016 0.436 . . . . 0.0 112.049 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 148.9 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.821 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.529 HG23 ' H1 ' ' C' ' 1' ' ' MET . 77.1 p -59.13 153.94 17.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.455 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 10.9 mmpt? 65.21 39.16 5.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.616 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 78.3 m-70 -165.18 55.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.375 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 44.7 t80 -157.75 141.26 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.636 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 85' ' ' LEU . 11.4 tt -160.58 137.93 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.248 0.547 . . . . 0.0 112.046 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' C' ' 8' ' ' VAL . 47.0 t80 -142.33 132.77 25.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.187 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.527 ' CE2' HG22 ' A' ' 22' ' ' VAL . 1.4 p90 -165.39 138.4 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.042 0.449 . . . . 0.0 111.958 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.752 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 54.2 m-85 -77.33 143.49 38.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.302 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 6' ' ' ALA . 39.3 tp -170.36 143.44 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.02 40.81 91.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.454 ' O ' HG13 ' A' ' 81' ' ' VAL . 83.8 mt-30 56.21 33.54 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.6 m -159.95 132.15 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -74.55 130.15 39.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 83' ' ' ILE . 4.1 mp -106.45 140.79 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.927 HD23 HD13 ' A' ' 57' ' ' ILE . 55.0 tp -130.15 139.39 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.518 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD22 ' CG2' ' A' ' 42' ' ' ILE . 50.0 tp -159.9 136.47 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.542 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -176.26 129.28 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.236 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.73 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 18.1 ptpt -79.0 163.24 25.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.991 0.424 . . . . 0.0 111.487 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.889 ' O ' HG22 ' A' ' 53' ' ' THR . 47.2 t -143.66 132.03 22.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.497 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.842 0.353 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 t -59.56 133.91 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -178.77 139.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.457 ' CD ' HG12 ' B' ' 22' ' ' VAL . 2.3 tmm_? 64.75 52.78 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.474 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 49.0 mtmt -65.69 -119.59 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.194 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.929 ' HB2' HD12 ' B' ' 78' ' ' LEU . . . 67.27 128.26 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 111.701 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 19.1 m -101.53 138.08 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.416 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.691 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -85.73 149.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.279 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -140.94 -40.65 0.4 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.296 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -131.94 49.85 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.691 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -58.49 142.59 48.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -168.52 59.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.409 ' HG3' ' HB3' ' B' ' 18' ' ' GLN . 11.2 ptp -173.53 150.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.144 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -40.99 144.94 0.23 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.83 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -48.83 -47.19 42.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.087 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.463 ' OE2' ' HB2' ' B' ' 17' ' ' MET . 1.1 pp20? -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.175 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.463 ' HB2' ' OE2' ' B' ' 16' ' ' GLU . 46.5 ttm -71.72 -48.53 46.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.349 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.771 ' O ' HG23 ' B' ' 22' ' ' VAL . 13.7 pt20 -65.92 -40.5 91.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.499 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -66.14 -38.02 87.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.729 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.6 -38.09 77.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.471 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.505 ' OG ' HD23 ' B' ' 85' ' ' LEU . 43.9 t -68.38 -44.54 74.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.102 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 18' ' ' GLN . 53.1 t -65.95 -44.66 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.26 -42.48 83.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.086 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.51 -32.17 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.733 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.633 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.02 -40.16 78.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 109.598 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.0 m -59.52 -46.1 89.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.221 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -58.87 -42.06 88.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.953 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.811 ' CB ' HG23 ' B' ' 38' ' ' ILE . . . -56.55 -40.92 75.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.005 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.818 HD23 HD11 ' B' ' 38' ' ' ILE . 50.2 mt -63.66 -49.24 73.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 111.422 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -69.23 -30.63 68.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.315 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.79 -32.32 19.14 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.472 ' O ' ' ND2' ' B' ' 33' ' ' ASN . 3.7 m-85 -124.86 -37.09 2.49 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.539 ' O ' HD13 ' B' ' 34' ' ' ILE . 0.4 OUTLIER 53.12 44.84 29.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.067 0.46 . . . . 0.0 111.013 -179.216 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.539 HD13 ' O ' ' B' ' 33' ' ' ASN . 45.1 mm -150.65 123.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.449 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -49.93 -45.15 50.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.138 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.502 ' HB2' ' HB3' ' C' ' 7' ' ' GLN . 0.8 OUTLIER -67.66 -48.93 65.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.703 -179.165 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -64.77 -44.11 91.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.364 . . . . 0.0 111.41 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.818 HD11 HD23 ' B' ' 29' ' ' LEU . 68.2 mt -54.41 -54.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.909 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -62.1 -27.42 68.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.872 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.758 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -67.54 -61.16 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -60.24 -49.14 78.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.018 -178.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' B' ' 25' ' ' ALA . 67.8 mt -57.66 -38.06 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.428 ' CE ' ' HB3' ' A' ' 65' ' ' TYR . 24.6 ttpp -58.58 -49.85 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.012 0.434 . . . . 0.0 110.622 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -64.37 -44.24 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.882 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.0 mm-40 -54.74 -52.37 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.325 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.454 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 12.1 m-85 -72.49 -41.15 66.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.447 ' OD1' ' HG3' ' B' ' 52' ' ' PRO . 4.7 t70 -57.4 -37.08 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.786 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -88.82 -39.63 13.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.772 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' B' ' 50' ' ' TYR . 55.8 tptt -74.21 -69.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.508 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 9.7 m-30 -76.29 -6.62 52.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 94.07 142.29 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 C-N-CA 123.081 0.552 . . . . 0.0 110.697 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.447 ' HG3' ' OD1' ' B' ' 47' ' ' ASP . 16.6 Cg_exo -65.12 167.2 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.419 2.079 . . . . 0.0 112.622 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.508 HG23 ' O ' ' B' ' 53' ' ' THR . 13.9 t -118.54 115.7 25.12 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.916 0.486 . . . . 0.0 110.742 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.744 ' CG ' ' HB3' ' B' ' 87' ' ' LYS . 22.5 m95 -87.92 134.85 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.348 0.594 . . . . 0.0 112.464 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -105.0 128.77 53.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.824 ' C ' HD12 ' B' ' 57' ' ' ILE . 77.6 m -119.53 134.03 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.547 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.824 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.9 mp -141.48 139.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.808 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 46.8 t -155.35 136.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 0.0 111.322 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.06 -138.55 3.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.839 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 6.7 ptp85 -169.03 33.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.513 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 29.0 t30 165.34 82.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.411 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' B' ' 57' ' ' ILE . 26.1 p90 -169.12 135.67 1.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -93.96 140.12 14.89 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.642 ' OG ' HG23 ' A' ' 57' ' ' ILE . 49.8 m -147.57 151.56 36.48 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.401 ' C ' HG23 ' B' ' 66' ' ' VAL . 10.8 m-85 -137.04 134.66 36.8 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.17 -1.377 . . . . 0.0 109.103 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.551 HG12 ' N ' ' B' ' 67' ' ' THR . 24.9 t -157.7 165.15 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.265 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.551 ' N ' HG12 ' B' ' 66' ' ' VAL . 93.8 m -118.15 151.1 38.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -163.75 150.88 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -62.31 143.84 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.01 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 67.7 p -58.86 150.05 25.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.744 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.633 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 64.82 35.54 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.474 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.1 m80 -157.07 69.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 8.1 t80 -170.93 146.15 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.063 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' B' ' 18' ' ' GLN . 8.7 tt -166.48 130.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.69 ' CD2' HD13 ' B' ' 84' ' ' LEU . 2.6 t80 -118.71 137.49 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.688 ' HD2' ' HB1' ' B' ' 6' ' ' ALA . 3.2 p90 -167.23 137.0 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.013 0.435 . . . . 0.0 112.17 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.683 ' CE2' ' HB2' ' B' ' 82' ' ' ALA . 8.6 m-85 -86.06 148.98 25.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.929 HD12 ' HB2' ' B' ' 6' ' ' ALA . 4.6 tt -157.14 136.24 11.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.483 . . . . 0.0 111.608 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.772 ' N ' HD23 ' B' ' 78' ' ' LEU . . . 69.79 -82.66 0.3 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.483 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.459 ' O ' HG13 ' B' ' 81' ' ' VAL . 71.4 mt-30 -161.8 33.37 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.805 0.335 . . . . 0.0 110.347 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.554 ' O ' HD12 ' B' ' 83' ' ' ILE . 30.6 m -159.37 134.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.683 ' HB2' ' CE2' ' B' ' 77' ' ' TYR . . . -70.68 127.39 32.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.578 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.554 HD12 ' O ' ' B' ' 81' ' ' VAL . 4.7 mp -108.22 140.48 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' B' ' 75' ' ' TYR . 58.3 tp -136.06 135.41 39.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.775 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' B' ' 56' ' ' CYS . 55.3 tp -146.64 135.52 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.345 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.497 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.3 p90 -176.7 130.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.075 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.744 ' HB3' ' CG ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -105.73 171.07 7.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.284 0.564 . . . . 0.0 112.429 -179.053 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.4 t -143.06 136.11 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.703 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.388 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.529 ' H1 ' HG23 ' A' ' 70' ' ' THR . 3.5 mpp? . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -158.37 136.39 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.583 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -76.06 120.57 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.9 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.4 t -74.78 152.42 39.03 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.391 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.65 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -155.06 125.85 1.76 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.784 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.844 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.3 pp -161.39 144.08 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 0.0 112.259 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.502 ' HB3' ' HB2' ' B' ' 36' ' ' LYS . 17.1 pt20 -116.61 89.19 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.659 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' A' ' 75' ' ' TYR . 45.9 t -69.51 136.81 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.793 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.425 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 27.1 mmm180 -57.01 136.51 56.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.307 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.18 42.91 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.243 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -82.15 54.61 2.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ASP . . . . . 0.407 ' HB2' ' HA ' ' C' ' 17' ' ' HIS . 12.1 p-10 -169.9 41.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.233 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.72 -48.15 51.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.244 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' C' ' 15' ' ' LYS . 2.6 mppt? -73.28 -35.92 66.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p -157.25 145.12 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.804 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' HIS . . . . . 0.407 ' HA ' ' HB2' ' C' ' 13' ' ' ASP . 43.3 m80 -49.66 135.02 19.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.323 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.96 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 120.787 0.327 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -72.02 128.63 36.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.602 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.0 t70 -82.43 115.63 21.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.332 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.489 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.7 t -79.99 142.76 34.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.588 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.672 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -144.87 125.76 2.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.88 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.813 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.3 pp -162.56 149.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 111.93 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.512 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 11.9 pt20 -132.69 127.61 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 51.4 t -114.98 142.98 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -157.98 37.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -72.2 -40.33 67.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 64.14 44.37 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.43 ' N ' ' HD3' ' B' ' 60' ' ' ARG . 87.1 mt -76.94 53.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' D' ' 16' ' ' SER . 57.4 m-20 -59.1 135.36 57.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.753 0.311 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.04 -52.63 10.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.68 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -76.49 -52.56 9.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 111.245 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' SER . . . . . 0.401 ' HB2' ' CB ' ' D' ' 13' ' ' ASP . 52.8 m -64.85 -42.51 94.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 63.68 123.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 tttm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.009 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.79 0.329 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.1 p -61.77 134.33 56.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.715 ' HA ' HG21 ' A' ' 26' ' ' THR . 1.5 m-20 59.74 45.2 13.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.534 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -176.4 127.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.265 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.534 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 55.6 tptt -172.55 -40.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.668 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -44.43 129.51 6.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.987 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -95.67 136.9 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.361 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.611 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -76.52 134.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.793 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -115.83 -34.61 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -156.24 51.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.358 . . . . 0.0 111.342 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . . . -58.8 141.29 53.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -157.69 74.82 0.76 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.317 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 61.1 mtt -156.27 -166.87 2.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.93 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' GLU . 56.4 m -86.74 38.96 0.82 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.278 0.474 . . . . 0.0 112.278 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 65.31 -59.67 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 14' ' ' SER . 24.6 pt-20 -59.22 -41.36 88.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.37 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 63.3 mtt -60.51 -51.0 71.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.394 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.804 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.7 pt20 -61.21 -37.47 83.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.807 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -61.63 -41.62 97.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.08 -37.37 81.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.515 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 m -68.16 -42.85 79.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.923 0.392 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 18' ' ' GLN . 50.2 t -65.52 -45.68 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.594 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.71 -42.17 78.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.039 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.12 -34.41 77.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.731 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -68.59 -39.85 80.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.374 0.607 . . . . 0.0 109.753 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.715 HG21 ' HA ' ' A' ' 3' ' ' ASP . 89.5 m -58.65 -45.49 89.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.155 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.42 -42.44 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.726 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB1' HG13 ' A' ' 38' ' ' ILE . . . -51.9 -46.6 64.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.658 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 78' ' ' LEU . 66.2 mt -59.2 -52.75 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.25 0.548 . . . . 0.0 110.798 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.01 -31.36 72.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.93 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 98.2 mttt -78.9 -37.36 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.785 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 42.4 m-85 -145.82 -53.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 42.5 t30 62.5 32.32 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.468 . . . . 0.0 110.058 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 34' ' ' ILE . 40.3 mm -101.02 25.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.708 ' N ' HD13 ' A' ' 38' ' ' ILE . 56.2 mt-10 55.76 -66.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.639 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.5 ttpm? -59.71 -54.2 49.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.325 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -55.19 -34.58 64.0 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.015 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.708 HD13 ' N ' ' A' ' 35' ' ' GLU . 2.0 mp -57.53 -59.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.618 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.56 68.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.071 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.802 ' HB2' ' CZ ' ' B' ' 65' ' ' TYR . . . -66.02 -62.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -64.43 -47.56 78.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.742 -178.634 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 25' ' ' ALA . 74.9 mt -55.73 -47.86 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.654 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' CE ' ' HB3' ' B' ' 65' ' ' TYR . 24.9 ttpp -59.08 -50.67 73.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -55.62 -44.44 77.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -57.84 -47.16 83.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.724 0.297 . . . . 0.0 111.218 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.5 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 36.3 m-85 -65.95 -43.37 88.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.2 m-20 -59.88 -42.66 94.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 111.326 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -77.04 -41.15 43.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.939 -179.352 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.8 -64.88 1.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 2.9 m-85 -79.81 -17.9 52.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.528 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 33.5 m-20 95.29 141.87 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.606 0 C-N-CA 122.853 0.461 . . . . 0.0 110.249 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 20.5 Cg_endo -60.55 169.39 5.47 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.556 2.17 . . . . 0.0 112.899 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 88' ' ' SER . 13.0 t -117.37 112.73 21.11 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 111.289 0.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 21.5 m95 -88.38 134.35 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.471 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -109.24 131.96 54.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.73 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 47.9 t -137.35 147.29 45.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.314 0.578 . . . . 0.0 112.291 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.627 HG21 ' CE2' ' A' ' 62' ' ' PHE . 41.3 mt -152.13 145.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.803 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 83' ' ' ILE . 46.6 t -150.77 136.0 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 111.474 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.18 -134.35 2.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.007 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.71 ' HA ' HG11 ' C' ' 8' ' ' VAL . 39.4 ptt180 -174.27 39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.634 0.254 . . . . 0.0 111.634 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 42.6 t30 170.35 79.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.627 ' CE2' HG21 ' A' ' 57' ' ' ILE . 4.7 p90 -173.49 130.97 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -94.15 137.21 13.41 Favored Glycine 0 C--O 1.228 -0.267 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.735 ' HB3' HG23 ' B' ' 57' ' ' ILE . 83.3 p -144.63 147.19 32.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 117.914 0.857 . . . . 0.0 113.253 -178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.475 ' CD2' ' HB2' ' B' ' 40' ' ' ALA . 3.6 t80 -127.67 133.83 49.62 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.609 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.636 HG11 ' CE1' ' A' ' 86' ' ' PHE . 24.9 t -155.87 168.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.608 ' N ' HG12 ' A' ' 66' ' ' VAL . 96.1 m -118.54 146.47 44.54 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CD2' ' HB ' ' C' ' 4' ' ' THR . 30.5 p80 -161.59 141.86 10.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.975 0.417 . . . . 0.0 111.944 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.24 150.48 45.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.764 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.744 HG23 ' N ' ' C' ' 1' ' ' MET . 74.8 p -58.79 151.54 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.859 0.361 . . . . 0.0 111.437 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.668 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.88 38.29 9.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.517 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.497 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 34.0 m80 -164.79 53.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.7 t80 -162.91 147.37 11.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.252 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.797 HD12 ' CB ' ' A' ' 18' ' ' GLN . 7.8 tt -164.98 141.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.625 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.549 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 43.0 t80 -137.59 131.7 32.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.144 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.0 p90 -160.56 141.05 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.423 . . . . 0.0 111.867 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 5.7 m-85 -77.58 149.72 34.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' A' ' 29' ' ' LEU . 38.7 tp -170.0 140.61 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 111.536 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.6 41.63 74.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.443 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.446 ' O ' HG13 ' A' ' 81' ' ' VAL . 73.1 mt-30 57.31 35.99 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.806 0.336 . . . . 0.0 110.97 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 78' ' ' LEU . 27.1 m -159.18 133.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -72.94 129.9 39.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.34 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 58' ' ' VAL . 51.7 mt -112.32 139.01 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.576 HD21 ' HE2' ' A' ' 86' ' ' PHE . 51.7 tp -127.86 141.74 51.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.458 HD21 ' CE2' ' A' ' 46' ' ' PHE . 58.8 tp -157.73 138.32 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.152 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.636 ' CE1' HG11 ' A' ' 66' ' ' VAL . 11.1 p90 179.24 131.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.504 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.64 170.38 9.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 111.78 -178.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.623 ' O ' HG22 ' A' ' 53' ' ' THR . 46.9 t -142.66 135.05 27.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.452 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.872 0.368 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.56 132.32 52.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -179.11 135.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.541 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 3.3 tmm_? 63.81 127.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.541 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.5 mmtt -149.26 -131.64 0.06 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.965 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 64.3 130.72 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.219 -0.3 . . . . 0.0 111.385 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' B' ' 77' ' ' TYR . 27.7 m -87.02 141.03 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.589 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.496 HG12 ' HB3' ' B' ' 76' ' ' PHE . 21.6 mt -109.96 134.11 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 111.631 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' B' ' 9' ' ' LYS . 7.1 mmpt? -110.91 -36.94 5.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.361 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 73.2 m-80 -132.36 143.71 50.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.48 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.55 140.17 22.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.952 0.406 . . . . 0.0 111.189 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -156.5 53.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 15.4 ptp -166.45 150.75 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.2 m -44.23 146.12 0.7 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.503 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 65.3 mm-40 -46.27 -42.33 14.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.581 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -63.04 -41.97 99.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.355 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.433 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 80.0 mtp -65.86 -47.8 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.015 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.707 ' O ' HG23 ' B' ' 22' ' ' VAL . 13.2 pt20 -64.7 -38.27 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.437 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.3 pt20 -71.48 -39.5 70.85 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.418 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.423 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.7 t70 -64.44 -38.8 92.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 -44.07 90.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 109.972 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 18' ' ' GLN . 51.2 t -65.41 -45.06 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.325 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 19' ' ' GLN . 56.8 mt-10 -64.33 -45.27 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.555 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' CYS . . . . . 0.401 ' HB3' HG12 ' B' ' 42' ' ' ILE . 96.7 m -61.23 -36.69 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.883 ' CA ' HD11 ' B' ' 42' ' ' ILE . . . -69.39 -38.2 77.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.262 0.553 . . . . 0.0 109.848 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.6 m -60.98 -44.42 97.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.465 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -60.33 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.369 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.52 ' HB3' HG12 ' B' ' 38' ' ' ILE . . . -55.12 -41.88 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.69 ' CD2' HD11 ' B' ' 38' ' ' ILE . 51.1 mt -63.63 -53.35 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.58 -28.62 67.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.472 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.3 mttt -87.67 -18.55 29.3 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.513 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 56.7 m-85 -146.5 -39.57 0.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' B' ' 32' ' ' TYR . 73.9 m-80 69.33 48.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.833 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.796 HD12 ' OD2' ' B' ' 37' ' ' ASP . 55.1 mt -141.76 125.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -53.76 -52.13 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.575 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -57.16 -55.09 39.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.123 0.487 . . . . 0.0 111.32 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.796 ' OD2' HD12 ' B' ' 34' ' ' ILE . 28.1 m-20 -50.47 -43.23 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.047 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.69 HD11 ' CD2' ' B' ' 29' ' ' LEU . 96.8 mt -50.67 -47.66 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 111.538 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 65' ' ' TYR . . . -62.53 -38.79 91.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.768 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.475 ' HB2' ' CD2' ' A' ' 65' ' ' TYR . . . -65.17 -48.74 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.513 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 68.4 m-70 -64.0 -54.03 40.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.883 HD11 ' CA ' ' B' ' 25' ' ' ALA . 54.2 mt -59.03 -45.36 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.657 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.444 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 14.2 tmtt? -57.89 -53.56 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.052 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.31 -47.91 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.13 -46.98 72.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.618 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 25.6 m-85 -64.97 -41.81 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.2 m-20 -56.53 -37.21 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.166 0.507 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.529 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.4 tmtp? -72.78 -41.38 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.434 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -84.58 -61.38 1.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.0 m-85 -84.63 -18.89 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.2 t30 92.36 135.99 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.442 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 9.8 Cg_endo -52.96 169.31 0.39 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.858 2.372 . . . . 0.0 113.112 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.9 t -114.11 126.84 55.54 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.291 0.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.678 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 25.4 m95 -101.76 130.73 48.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.246 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.485 ' O ' HD12 ' B' ' 85' ' ' LEU . 23.6 m-70 -111.03 141.67 44.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.783 ' C ' HD12 ' B' ' 57' ' ' ILE . 45.6 t -146.77 144.29 29.27 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.466 -178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.783 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.4 mp -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.907 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.501 HG13 HG12 ' B' ' 83' ' ' ILE . 59.5 t -156.87 133.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 110.985 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.39 -138.2 3.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -175.08 34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.633 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 41.2 t30 168.53 79.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.375 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.694 ' CE2' HG21 ' B' ' 57' ' ' ILE . 5.0 p90 -173.3 133.67 0.51 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.92 0.39 . . . . 0.0 111.793 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -82.43 138.63 18.65 Favored Glycine 0 C--O 1.228 -0.265 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.7 t -140.64 144.91 35.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.202 1.001 . . . . 0.0 113.596 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.802 ' CZ ' ' HB2' ' A' ' 40' ' ' ALA . 12.4 m-85 -137.44 132.94 34.12 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.154 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.807 HG11 ' CE1' ' B' ' 86' ' ' PHE . 32.2 t -157.21 161.71 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-O 120.716 0.293 . . . . 0.0 111.77 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.836 HG23 ' HG2' ' D' ' 2' ' ' LYS . 53.7 m -113.27 143.05 45.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' D' ' 2' ' ' LYS . 26.7 p80 -157.27 137.45 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 112.137 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -53.99 140.5 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.098 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -54.01 149.61 9.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.418 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 65.48 35.0 7.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.454 ' HB3' ' HG3' ' B' ' 87' ' ' LYS . 62.7 m80 -157.85 69.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.595 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.937 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 6.7 t80 -173.42 147.98 1.54 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.254 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.749 ' O ' HD12 ' B' ' 84' ' ' LEU . 7.9 tt -166.33 134.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.413 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.481 ' O ' HG23 ' B' ' 8' ' ' ILE . 5.1 t80 -120.61 137.11 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.73 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.637 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.7 p90 -168.47 134.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.854 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.528 ' HB2' HG22 ' B' ' 7' ' ' VAL . 69.0 m-85 -80.63 147.4 30.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.705 HD13 ' HB2' ' B' ' 6' ' ' ALA . 39.6 tp -165.45 141.42 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.241 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 41.71 81.03 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.391 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.44 ' O ' HG13 ' B' ' 81' ' ' VAL . 97.6 mm-40 56.12 36.11 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.789 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.476 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.5 m -158.61 131.86 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.823 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -69.73 142.8 53.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.387 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.501 HG12 HG13 ' B' ' 58' ' ' VAL . 58.1 mt -132.79 134.69 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.937 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 46.4 tp -136.02 142.25 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.589 HD21 ' CD2' ' B' ' 46' ' ' PHE . 63.4 tp -147.06 146.19 29.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.807 ' CE1' HG11 ' B' ' 66' ' ' VAL . 8.2 p90 -177.71 139.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.742 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.678 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -106.3 157.11 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.435 . . . . 0.0 111.612 -179.384 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 43.7 t -125.63 134.55 51.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.748 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.483 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.744 ' N ' HG23 ' A' ' 70' ' ' THR . 26.5 ptt? . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -158.04 150.48 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.485 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.6 p30 -73.37 129.97 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.684 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.477 ' HB ' ' CD2' ' A' ' 68' ' ' HIS . 10.6 t -84.05 135.06 34.57 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.448 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.652 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -129.35 120.52 3.22 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.734 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.776 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.0 pp -162.57 155.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.994 0.425 . . . . 0.0 111.639 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.467 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 12.2 pt20 -154.75 119.04 4.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.942 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.71 HG11 ' HA ' ' A' ' 60' ' ' ARG . 44.5 t -81.52 133.25 29.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.802 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.115 -0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.517 ' NE ' ' HA ' ' C' ' 10' ' ' ARG . 13.7 mmp_? -63.75 133.63 53.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.174 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -90.62 43.48 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.004 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.8 48.53 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.296 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ASP . . . . . 0.402 ' HB3' ' HG2' ' C' ' 18' ' ' LYS . 12.3 p-10 -69.81 140.62 53.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.387 . . . . 0.0 111.15 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.14 -50.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.035 -0.603 . . . . 0.0 111.783 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' C' ' 16' ' ' SER . 60.3 mttp -86.91 52.36 2.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' C' ' 15' ' ' LYS . 35.0 t 70.32 -61.27 0.47 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.701 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -87.5 133.31 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.754 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LYS . . . . . 0.402 ' HG2' ' HB3' ' C' ' 13' ' ' ASP . 95.4 mttt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.025 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.836 ' HG2' HG23 ' B' ' 67' ' ' THR . 0.0 OUTLIER -170.62 132.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.373 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.695 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 -164.25 111.53 1.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.443 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.515 HG22 ' HB ' ' B' ' 66' ' ' VAL . 15.0 t -70.52 146.57 50.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.579 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -146.78 126.47 2.46 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.105 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.903 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -160.11 142.59 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 111.712 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.41 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 3.2 tm0? -113.95 90.34 3.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.111 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.474 HG23 HD13 ' D' ' 6' ' ' ILE . 59.6 t -69.58 141.38 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.9 t70 -171.81 54.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.647 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.448 ' HD2' ' HB2' ' B' ' 60' ' ' ARG . 48.3 mmm-85 61.67 48.27 5.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -76.65 48.8 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.489 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.561 ' N ' HD22 ' D' ' 12' ' ' LEU . 3.1 mm? -83.03 52.06 2.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.714 0.292 . . . . 0.0 111.294 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' D' ' 15' ' ' LYS . 56.2 m-20 -158.03 143.06 16.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.783 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.14 64.05 0.15 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.839 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' D' ' 13' ' ' ASP . 14.5 mmmm 64.32 36.35 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 16' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' D' ' 17' ' ' HIS . 47.2 m -86.05 53.08 2.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.799 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 17' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' D' ' 16' ' ' SER . 20.2 m80 71.36 -49.59 0.68 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.566 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.825 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtm . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.849 0.357 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.39 133.85 56.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.765 ' HB2' HG21 ' A' ' 26' ' ' THR . 2.7 p30 -61.97 134.59 56.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -179.65 137.69 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.594 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -177.78 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.058 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.813 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . -51.93 128.01 22.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.709 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.8 m -90.25 138.79 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.573 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.637 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.8 mp -78.49 147.27 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 31.2 mmmt -132.36 -37.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.619 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -147.58 50.92 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 111.673 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.65 144.35 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.574 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -163.6 57.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.339 . . . . 0.0 111.577 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 ptp -167.97 -174.75 2.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.403 ' HB2' ' HG3' ' A' ' 17' ' ' MET . 58.2 m -58.25 143.61 43.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 16.3 pt-20 -53.45 -46.04 69.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.369 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.4 -42.63 99.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.438 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 66.2 mtt -60.2 -50.31 74.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.799 0.333 . . . . 0.0 111.265 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.2 pt20 -63.18 -39.86 95.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 96.6 mm-40 -66.63 -41.45 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.549 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.78 -36.38 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.568 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.5 t -67.95 -42.6 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.1 t -63.54 -47.69 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.58 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.02 -43.64 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.952 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.4 t -63.73 -33.52 75.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.455 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.699 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.24 -39.24 78.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 109.707 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 3' ' ' ASP . 89.7 m -57.67 -48.51 79.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.098 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.14 -36.28 79.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.566 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -57.1 -39.2 74.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.013 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.952 HD23 HD11 ' A' ' 38' ' ' ILE . 58.8 mt -70.07 -45.73 66.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.976 0.417 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.86 -33.55 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.295 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.31 -37.12 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.255 0.55 . . . . 0.0 110.491 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' C ' ' H ' ' A' ' 34' ' ' ILE . 6.2 m-85 -135.78 85.33 2.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.974 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -67.65 24.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.495 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.65 HD12 ' OD2' ' A' ' 37' ' ' ASP . 60.9 mt -114.61 131.58 66.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.34 -51.98 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.659 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HZ2' ' HB3' ' A' ' 36' ' ' LYS . 3.7 ttpm? -59.46 -56.33 23.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.124 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.65 ' OD2' HD12 ' A' ' 34' ' ' ILE . 56.5 m-20 -51.06 -43.19 60.93 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.952 HD11 HD23 ' A' ' 29' ' ' LEU . 65.8 mt -49.1 -53.5 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.091 0.472 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -65.89 -28.11 68.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.941 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.77 -60.68 2.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.504 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.1 -47.13 84.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.556 -178.797 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 25' ' ' ALA . 82.2 mt -57.84 -46.1 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.741 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -58.87 -51.09 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.647 -179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 68.0 mttm -54.23 -44.38 71.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 53.0 mm-40 -57.16 -50.72 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.682 0.277 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.544 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.8 m-85 -66.36 -43.99 84.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 111.467 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 60.7 t0 -54.11 -41.98 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -76.72 -42.63 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.952 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 66.7 mttm -79.01 -70.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.562 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 7.0 m-30 -73.26 -14.57 61.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.562 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.74 146.36 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 C-N-CA 122.959 0.503 . . . . 0.0 110.548 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.443 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 37.0 Cg_endo -67.71 170.18 14.48 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.33 2.02 . . . . 0.0 112.909 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -114.2 126.02 54.59 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 122.626 0.37 . . . . 0.0 110.873 -0.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.544 ' CE2' ' HB3' ' A' ' 46' ' ' PHE . 24.3 m95 -99.08 135.22 40.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.313 0.578 . . . . 0.0 112.449 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 24.2 m-70 -115.03 134.08 55.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.818 ' C ' HD12 ' A' ' 57' ' ' ILE . 49.9 t -137.54 140.74 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 112.428 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.818 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.2 mp -132.66 151.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -155.02 134.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.256 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.27 -134.52 2.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.146 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.0 ptt85 -178.53 38.01 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.668 0.271 . . . . 0.0 111.438 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 41.8 t30 165.07 81.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.129 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' A' ' 57' ' ' ILE . 4.0 p90 -170.8 136.85 1.21 Allowed 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.18 143.3 16.5 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.787 ' OG ' HG23 ' B' ' 57' ' ' ILE . 44.9 m -159.09 149.63 19.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' C' ' 3' ' ' ASP . 4.2 t80 -125.99 135.55 51.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.543 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.533 HG11 ' CE2' ' A' ' 86' ' ' PHE . 20.4 t -154.42 164.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.586 0.232 . . . . 0.0 111.514 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.2 m -117.27 153.67 32.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 25.9 p80 -163.86 142.69 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 112.077 -178.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.82 144.89 42.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.96 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.494 HG23 ' H2 ' ' C' ' 1' ' ' MET . 62.0 p -55.39 150.51 11.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.237 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 11.0 mmpt? 62.38 38.58 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.21 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.442 ' CE1' ' HD3' ' A' ' 87' ' ' LYS . 90.9 m-70 -158.51 56.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.622 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.642 ' HE1' HD11 ' A' ' 84' ' ' LEU . 32.9 t80 -155.69 140.55 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.994 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.646 HD12 ' CB ' ' A' ' 18' ' ' GLN . 11.8 tt -165.27 141.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.306 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.634 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 3.7 t80 -139.84 136.11 33.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.872 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.0 p90 -164.67 139.17 5.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.142 0.496 . . . . 0.0 112.17 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.8 m-85 -79.43 153.23 29.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' ' 6' ' ' ALA . 33.5 tp -158.68 131.6 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.008 0.433 . . . . 0.0 112.019 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.95 -65.57 0.19 Allowed Glycine 0 C--N 1.333 0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.02 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' HB2' HD21 ' C' ' 12' ' ' LEU . 19.0 pt20 178.95 37.23 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.402 . . . . 0.0 110.028 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.3 m -158.91 137.52 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.634 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.9 137.89 52.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.015 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.427 HD12 ' HE1' ' A' ' 76' ' ' PHE . 57.7 mt -121.2 132.26 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD11 ' HE1' ' A' ' 73' ' ' PHE . 59.0 tp -128.63 139.83 52.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.6 tp -152.39 139.19 18.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.699 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.533 ' CE2' HG11 ' A' ' 66' ' ' VAL . 16.5 p90 -172.53 133.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.325 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 21.0 ptmt -102.59 151.47 22.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 111.048 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.1 t -126.01 130.84 51.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.751 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.465 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' B' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.748 0.308 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.3 p -60.29 133.98 56.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.53 139.53 57.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 1.3 mpp_? 63.32 125.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.949 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -72.89 -31.88 64.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.322 0.582 . . . . 0.0 110.035 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -55.07 134.46 49.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.178 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.453 HG23 ' HE2' ' B' ' 9' ' ' LYS . 23.9 m -105.63 138.18 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.282 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.626 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.46 145.05 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.842 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.453 ' HE2' HG23 ' B' ' 7' ' ' VAL . 75.0 mmtt -131.26 -35.48 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.714 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -144.81 54.24 1.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.893 0.378 . . . . 0.0 111.472 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.57 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -56.69 144.85 30.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -167.23 59.38 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.374 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.42 ' CE ' ' HB3' ' B' ' 17' ' ' MET . 50.2 ttp -175.19 163.52 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.711 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.5 m -43.05 138.13 2.21 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.645 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 95.0 mt-10 -50.65 -43.98 57.36 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.348 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.42 ' HB3' ' CE ' ' B' ' 13' ' ' MET . 65.1 mtt -66.41 -45.37 80.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.707 0.289 . . . . 0.0 111.259 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.892 ' O ' HG23 ' B' ' 22' ' ' VAL . 15.1 pt20 -66.43 -36.98 84.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.404 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.1 pt20 -71.69 -40.88 69.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.795 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' B' ' 24' ' ' CYS . 1.0 OUTLIER -68.61 -37.06 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.858 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -66.63 -40.91 88.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.88 0.372 . . . . 0.0 110.339 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 18' ' ' GLN . 64.0 t -65.2 -49.86 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.689 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.3 -41.15 90.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.864 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 20' ' ' ASP . 44.9 t -60.94 -32.88 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.545 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.748 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -70.37 -40.86 73.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.198 0.523 . . . . 0.0 109.955 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.515 ' OG1' HD21 ' B' ' 78' ' ' LEU . 90.2 m -59.95 -44.62 94.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.179 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -59.63 -42.44 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.89 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.524 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -54.09 -47.23 71.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.169 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' B' ' 38' ' ' ILE . 61.0 mt -60.82 -44.58 96.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.86 -33.76 76.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.736 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 7.3 ptpp? -85.8 -38.86 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.436 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 48.1 m-85 -119.9 -43.91 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.608 ' O ' HD13 ' B' ' 34' ' ' ILE . 49.5 t-20 64.66 45.02 3.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.959 0.409 . . . . 0.0 110.174 -179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.608 HD13 ' O ' ' B' ' 33' ' ' ASN . 44.8 mm -147.1 116.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.624 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.8 OUTLIER -42.98 -41.11 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.099 -179.504 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -62.09 -56.41 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.383 . . . . 0.0 111.337 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -60.68 -40.92 93.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.001 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.827 HD11 ' CD2' ' B' ' 29' ' ' LEU . 90.2 mt -48.18 -59.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.935 0.398 . . . . 0.0 111.574 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.695 ' HB1' ' HB2' ' B' ' 56' ' ' CYS . . . -65.06 -23.07 67.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.15 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -66.51 -63.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.531 ' HA ' ' HD3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -67.43 -42.62 82.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.747 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.748 HD11 ' HA ' ' B' ' 25' ' ' ALA . 82.9 mt -59.73 -47.32 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.653 0.263 . . . . 0.0 111.503 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.458 ' HE2' ' CE1' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -62.57 -52.02 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.868 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' B' ' 41' ' ' HIS . 20.9 ptmt -58.44 -40.18 81.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -58.69 -52.49 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.605 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.577 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 47.8 m-85 -65.13 -45.58 84.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 0.0 110.788 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.449 ' OD2' ' HB3' ' B' ' 52' ' ' PRO . 9.6 t0 -51.04 -39.45 55.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -80.8 -42.85 21.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.0 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -75.09 -58.02 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.9 m-85 -85.85 -12.62 50.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 91.81 143.61 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.414 0 C-N-CA 122.838 0.455 . . . . 0.0 110.336 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.449 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 20.8 Cg_endo -60.99 168.49 7.26 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.44 2.093 . . . . 0.0 112.696 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.466 HG23 ' CE1' ' B' ' 55' ' ' HIS . 12.5 t -117.17 125.96 52.03 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 122.925 0.49 . . . . 0.0 110.961 0.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.792 ' CZ3' HD21 ' B' ' 85' ' ' LEU . 25.7 m95 -97.83 148.83 23.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.013 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.466 ' CE1' HG23 ' B' ' 53' ' ' THR . 11.7 m-70 -134.0 138.51 45.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.171 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.814 ' C ' HD12 ' B' ' 57' ' ' ILE . 83.3 m -143.87 144.46 31.76 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.814 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.3 mp -132.33 144.32 37.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.47 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' B' ' 35' ' ' GLU . 49.0 t -154.19 136.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.907 0.384 . . . . 0.0 111.645 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.09 -138.07 4.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.418 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 85.8 mtm180 -159.42 27.53 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.326 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 10.1 t-20 175.73 77.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.451 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' B' ' 62' ' ' PHE . 11.4 p90 -156.36 138.98 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.455 0.645 . . . . 0.0 112.213 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -120.38 136.23 11.4 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.628 ' HB3' HG23 ' A' ' 57' ' ' ILE . 79.6 p -156.6 156.65 33.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.1 t80 -125.53 133.21 52.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 113.8 -1.545 . . . . 0.0 107.778 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.546 ' HB ' HG22 ' D' ' 4' ' ' THR . 14.0 t -153.24 163.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.723 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.493 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.4 m -115.94 154.3 30.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.4 p80 -164.77 143.13 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.036 0.446 . . . . 0.0 111.685 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -54.5 141.94 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.945 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -53.75 151.41 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.341 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 62.85 39.46 10.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -159.3 69.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.588 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.623 ' HE1' HD11 ' B' ' 84' ' ' LEU . 29.3 t80 -163.82 143.75 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.072 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.41 ' O ' HD12 ' B' ' 84' ' ' LEU . 10.5 tt -163.87 142.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.632 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -141.62 135.55 30.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.434 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.631 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.0 p90 -168.64 143.05 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.068 0.461 . . . . 0.0 111.765 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 4.5 m-85 -82.82 152.11 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.351 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.705 HD13 ' HB2' ' B' ' 6' ' ' ALA . 39.4 tp -170.12 140.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.953 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.01 38.43 60.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 58.42 39.16 25.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 0.0 111.197 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 78' ' ' LEU . 31.6 m -156.4 133.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.944 0.402 . . . . 0.0 111.081 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.505 ' CB ' HG21 ' D' ' 8' ' ' VAL . . . -69.97 134.23 48.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.2 mt -120.37 142.18 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.623 HD11 ' HE1' ' B' ' 73' ' ' PHE . 58.0 tp -138.67 142.62 39.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.792 HD21 ' CZ3' ' B' ' 54' ' ' TRP . 6.4 tt -158.27 145.2 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.545 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 9.3 p90 179.89 136.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.8 ptmt -101.95 170.23 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 42.3 t -147.87 132.22 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.777 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.48 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.494 ' H2 ' HG23 ' A' ' 70' ' ' THR . 81.8 mtp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' C' ' 2' ' ' LYS . 8.5 mtpm? -155.54 130.81 9.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.495 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.1 p30 -81.89 123.09 28.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.149 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.47 HG22 ' HB ' ' A' ' 66' ' ' VAL . 10.9 t -88.75 144.1 26.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.927 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.12 135.56 7.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.635 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -151.21 170.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.45 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.553 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.1 pt20 -162.62 69.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -69.8 143.25 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.797 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.139 -0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -69.85 137.01 51.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -75.53 53.16 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.186 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 80' ' ' GLN . 35.7 tp -82.91 47.05 1.16 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 111.211 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -157.68 126.95 5.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.759 0.314 . . . . 0.0 110.541 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' GLY . . . . . 0.452 ' O ' ' CE1' ' C' ' 17' ' ' HIS . . . -76.88 -51.75 6.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.644 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' C' ' 16' ' ' SER . 35.3 mtmm -72.1 138.87 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.27 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' C' ' 15' ' ' LYS . 36.8 m 74.46 -41.32 0.47 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' HIS . . . . . 0.452 ' CE1' ' O ' ' C' ' 14' ' ' GLY . 25.0 m80 66.59 128.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.304 . . . . 0.0 110.561 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.928 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.751 0.31 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' B' ' 68' ' ' HIS . 75.0 mmtt -73.17 133.9 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.5 ' HB2' ' CE1' ' B' ' 65' ' ' TYR . 11.9 p-10 -82.22 116.25 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.731 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.546 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.9 t -85.39 146.68 26.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.651 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -148.85 128.41 2.78 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.372 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.808 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.2 pp -161.47 145.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.423 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.617 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 23.0 pt20 -137.56 85.39 2.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.985 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' B' ' 82' ' ' ALA . 55.2 t -69.87 141.24 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -157.49 45.53 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 0.0 110.853 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 57.11 42.01 26.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.045 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -86.87 38.71 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.41 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.408 HD12 ' C ' ' D' ' 12' ' ' LEU . 0.8 OUTLIER -93.2 41.84 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.408 . . . . 0.0 110.63 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -179.88 138.2 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.598 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' D' ' 15' ' ' LYS . . . -82.37 29.12 3.25 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.493 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' D' ' 14' ' ' GLY . 25.9 ttpp 173.58 136.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -64.32 127.54 31.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.805 0.336 . . . . 0.0 111.048 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.99 -34.26 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.858 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' LYS . . . . . 0.405 ' NZ ' HD13 ' D' ' 12' ' ' LEU . 39.9 ttmt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 2' ' ' CYS . 26.1 ptm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.684 0.278 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 1' ' ' MET . 83.2 m -76.21 53.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.416 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.43 137.14 57.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.8 OUTLIER -60.67 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.764 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.1 tptt 179.85 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.901 0.381 . . . . 0.0 110.948 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -43.87 127.55 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.058 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 26.4 m -100.21 136.26 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 121.029 0.442 . . . . 0.0 111.307 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -97.76 142.85 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.85 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 14.8 ptmm? -148.03 23.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.819 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.561 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 47.0 m-80 -171.47 44.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -63.7 136.91 57.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -158.71 54.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.1 ttp -172.57 164.56 5.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.396 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' A' ' 17' ' ' MET . 64.4 m -42.01 137.74 1.75 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.422 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -51.06 -48.63 61.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.745 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.52 -42.86 99.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' HB2' ' A' ' 14' ' ' SER . 89.4 mtp -62.83 -48.19 80.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.183 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.813 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.8 pt20 -65.58 -37.73 87.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.857 0.36 . . . . 0.0 110.533 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -64.97 -40.45 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.54 -37.73 83.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -67.11 -42.61 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.878 0.37 . . . . 0.0 110.095 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 18' ' ' GLN . 47.3 t -65.23 -48.08 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.427 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.82 -41.27 87.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.87 -31.86 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.81 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.95 -41.25 74.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.218 0.532 . . . . 0.0 109.956 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.0 m -60.0 -44.5 94.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.301 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.59 -41.01 93.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.045 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.55 -46.23 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.316 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.829 ' CD2' HD11 ' A' ' 38' ' ' ILE . 61.7 mt -62.18 -46.12 90.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.522 . . . . 0.0 111.064 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.15 -33.87 76.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.651 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HE3' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -86.42 -38.17 17.62 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.115 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HE3' ' A' ' 31' ' ' LYS . 40.0 m-85 -119.54 -47.23 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 65.08 46.81 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.911 0.386 . . . . 0.0 110.418 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.6 mt -149.55 134.6 10.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.8 mt-10 -44.93 -59.84 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.936 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' D' ' 7' ' ' GLN . 35.7 ttpt -55.09 -57.49 11.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.225 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.455 ' OD2' HD12 ' A' ' 34' ' ' ILE . 57.4 m-20 -51.23 -44.52 61.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.829 HD11 ' CD2' ' A' ' 29' ' ' LEU . 87.0 mt -51.35 -57.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.04 0.447 . . . . 0.0 111.1 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -67.7 -21.33 65.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.03 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' B' ' 65' ' ' TYR . . . -67.6 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.52 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -69.91 -41.73 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.511 -178.681 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 25' ' ' ALA . 76.6 mt -61.22 -47.88 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.509 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' B' ' 65' ' ' TYR . 35.2 ttpt -61.21 -52.72 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.714 0.292 . . . . 0.0 110.873 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.12 -42.84 81.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.536 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.28 -49.34 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.259 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.505 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.2 m-85 -65.25 -42.98 92.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.695 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 63.4 m-20 -56.4 -36.18 68.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 0.0 111.348 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -82.7 -39.87 21.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.85 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -59.27 2.85 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.538 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 5.6 m-85 -87.52 -17.67 31.54 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 31.8 m-20 96.63 144.54 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 122.952 0.501 . . . . 0.0 110.331 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 27.4 Cg_exo -62.46 167.13 11.88 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.481 2.121 . . . . 0.0 112.968 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.421 HG23 ' CE1' ' A' ' 55' ' ' HIS . 14.8 t -116.25 126.46 53.61 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 0.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.9 m95 -99.81 134.78 42.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.332 0.587 . . . . 0.0 111.997 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 19.7 m-70 -112.16 133.6 54.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.98 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.823 ' C ' HD12 ' A' ' 57' ' ' ILE . 50.0 t -136.48 141.8 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 0.0 112.233 -178.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.5 mp -134.68 149.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.126 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG11 HD12 ' A' ' 38' ' ' ILE . 48.6 t -155.47 134.98 3.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.061 0.457 . . . . 0.0 111.413 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' HA2' ' OE1' ' A' ' 35' ' ' GLU . . . 173.16 -136.18 3.59 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.216 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.0 ptt85 -179.34 40.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.417 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 41.7 t30 169.11 74.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.233 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CZ ' HG21 ' C' ' 8' ' ' VAL . 32.4 p90 -171.54 136.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.994 0.426 . . . . 0.0 111.903 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.75 126.71 7.69 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.1 m -114.02 144.32 43.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 8.3 t80 -151.57 122.46 7.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.586 HG12 ' N ' ' A' ' 67' ' ' THR . 46.8 t -157.0 165.04 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.586 ' N ' HG12 ' A' ' 66' ' ' VAL . 87.2 m -112.45 149.36 32.7 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' C' ' 2' ' ' LYS . 26.4 p80 -161.51 146.84 13.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.264 0.554 . . . . 0.0 112.307 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -59.38 141.77 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.98 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.0 p -55.1 151.96 8.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.444 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.669 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.76 39.1 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.28 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 92.2 m-70 -160.62 62.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.81 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.71 ' HE1' HD11 ' A' ' 84' ' ' LEU . 34.3 t80 -157.23 140.95 15.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.298 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.75 HD12 ' HB2' ' A' ' 18' ' ' GLN . 9.2 tt -164.44 139.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.595 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.642 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 53.4 t80 -136.13 136.55 40.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.604 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.2 p90 -165.27 139.85 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 111.785 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.6 m-85 -75.28 148.68 39.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.77 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' A' ' 6' ' ' ALA . 33.5 tp -170.43 139.68 1.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.902 0.382 . . . . 0.0 111.531 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.432 ' HA3' HD13 ' A' ' 29' ' ' LEU . . . 55.99 42.74 87.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.508 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER 54.11 35.21 21.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 110.686 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 78' ' ' LEU . 26.7 m -158.28 134.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.605 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.642 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.78 131.59 44.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.397 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.455 HD12 ' HB3' ' A' ' 78' ' ' LEU . 54.8 mt -116.44 134.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.484 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.71 HD11 ' HE1' ' A' ' 73' ' ' PHE . 54.7 tp -129.13 143.42 50.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.4 tp -153.65 144.44 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.527 ' CE1' HG11 ' A' ' 66' ' ' VAL . 10.5 p90 178.61 133.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 13.5 ptmm? -98.35 170.34 8.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.063 0.458 . . . . 0.0 111.764 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -146.7 132.36 18.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.701 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.472 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.407 ' HG3' ' N ' ' B' ' 2' ' ' CYS . 22.5 ptp . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.734 0.302 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' CYS . . . . . 0.407 ' N ' ' HG3' ' B' ' 1' ' ' MET . 53.8 t -59.22 133.51 56.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.408 ' O ' ' HD2' ' B' ' 4' ' ' ARG . 2.9 p30 -178.77 138.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.805 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.485 ' C ' ' HD2' ' B' ' 4' ' ' ARG . 5.8 ppt_? 43.78 -162.1 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.462 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.475 ' HB3' ' NZ ' ' B' ' 5' ' ' LYS . 4.2 mmmp? -158.06 -129.43 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.751 ' HB3' HG13 ' B' ' 22' ' ' VAL . . . 64.3 133.55 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 120.821 0.343 . . . . 0.0 111.494 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.48 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 20.6 m -95.3 136.24 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.417 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.616 ' CG2' ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -80.63 132.04 32.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.75 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -109.44 -34.15 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.053 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -156.24 54.29 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.217 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.616 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -57.01 143.12 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -175.16 62.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.723 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.786 ' O ' ' HB2' ' B' ' 17' ' ' MET . 52.8 ttp -171.2 56.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.544 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 38.3 t 61.26 135.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 111.461 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 56.1 mt-10 -56.7 -51.34 69.19 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.897 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 0.0 110.951 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.786 ' HB2' ' O ' ' B' ' 13' ' ' MET . 87.8 mtp -65.0 -50.63 65.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.702 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.0 pt20 -64.58 -37.08 86.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.545 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.38 -39.97 92.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.802 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.401 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.2 t70 -64.64 -39.61 94.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -65.39 -41.67 93.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.751 HG13 ' HB3' ' B' ' 6' ' ' ALA . 64.6 t -64.39 -47.12 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.28 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.77 -47.22 81.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' CYS . . . . . 0.435 ' O ' HD11 ' B' ' 42' ' ' ILE . 86.8 m -62.22 -28.37 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.09 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -71.77 -42.43 67.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 109.941 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -59.88 -46.64 88.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.88 -46.75 88.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.775 ' CB ' HG23 ' B' ' 38' ' ' ILE . . . -54.24 -34.71 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.201 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.879 HD23 HD11 ' B' ' 38' ' ' ILE . 61.0 mt -68.31 -52.95 27.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.518 ' HG3' ' CD ' ' B' ' 31' ' ' LYS . 12.3 pt-20 -70.64 -26.28 63.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.728 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.518 ' CD ' ' HG3' ' B' ' 30' ' ' GLU . 0.4 OUTLIER -85.16 -37.67 19.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.767 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' B' ' 32' ' ' TYR . 2.5 m-85 -121.11 -47.23 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 111.669 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.498 ' O ' ' ND2' ' B' ' 33' ' ' ASN . 0.3 OUTLIER 65.57 45.88 2.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.205 -179.495 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.564 HD12 ' OD2' ' B' ' 37' ' ' ASP . 57.0 mt -152.29 122.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.503 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 58' ' ' VAL . 22.0 pt-20 -47.11 -48.25 23.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.127 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.52 -56.66 15.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.169 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.564 ' OD2' HD12 ' B' ' 34' ' ' ILE . 57.3 m-20 -57.06 -47.72 80.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.879 HD11 HD23 ' B' ' 29' ' ' LEU . 89.0 mt -47.85 -52.81 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.931 0.396 . . . . 0.0 111.721 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.75 -25.09 68.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.97 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -70.11 -58.88 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.556 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -65.59 -46.52 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.504 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' B' ' 25' ' ' ALA . 66.8 mt -61.67 -42.58 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.324 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.525 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 81.7 tttt -59.86 -51.85 67.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -56.68 -44.54 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.04 -46.57 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.474 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.3 m-85 -66.68 -40.78 88.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.543 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.421 ' OD2' ' HG2' ' B' ' 43' ' ' LYS . 57.8 m-20 -57.27 -43.53 83.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 0.0 110.867 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.8 77.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.514 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -79.44 -70.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' B' ' 51' ' ' ASN . 7.3 m-30 -73.84 -14.39 61.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.579 ' HB3' ' O ' ' B' ' 50' ' ' TYR . 23.8 t-20 93.11 140.31 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 122.78 0.432 . . . . 0.0 110.752 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.98 169.28 12.14 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.437 2.091 . . . . 0.0 112.631 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 11.9 t -116.55 127.52 54.59 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 122.931 0.492 . . . . 0.0 110.771 0.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.595 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 27.0 m95 -94.75 126.41 40.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 112.356 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.522 ' O ' HD12 ' B' ' 85' ' ' LEU . 13.0 m80 -98.83 141.65 31.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.024 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.2 t -148.29 148.6 30.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 112.806 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 58.4 mt -151.39 142.62 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.395 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 45.0 t -150.01 142.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.071 0.463 . . . . 0.0 111.607 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.91 -127.63 1.28 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -174.82 38.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.771 -0.253 . . . . 0.0 111.388 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 39.7 t30 164.35 82.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.847 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.518 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 15.2 p90 -164.66 133.89 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.243 0.544 . . . . 0.0 111.913 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -109.35 136.33 13.49 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.539 ' HB3' HG23 ' A' ' 57' ' ' ILE . 80.5 p -161.76 159.44 27.14 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.881 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 25.7 m-85 -126.97 142.04 51.65 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 114.046 -1.433 . . . . 0.0 109.443 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' B' ' 86' ' ' PHE . 24.9 t -155.56 166.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.561 ' N ' HG12 ' B' ' 66' ' ' VAL . 90.4 m -112.97 152.4 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.6 p80 -161.44 140.31 9.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.139 0.495 . . . . 0.0 111.661 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.408 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 17.7 tp10 -56.43 160.45 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.292 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.451 HG23 ' N ' ' D' ' 1' ' ' MET . 74.0 p -55.47 141.91 34.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.907 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.519 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 60.81 21.97 12.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.623 179.47 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 52.1 m170 -124.65 69.79 1.11 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.713 0.292 . . . . 0.0 110.38 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.572 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 19.7 t80 -159.88 138.08 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' B' ' 18' ' ' GLN . 8.6 tt -160.59 141.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.179 0.514 . . . . 0.0 111.706 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.62 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 4.4 t80 -145.63 136.96 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.313 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.632 ' HE1' HD12 ' B' ' 83' ' ' ILE . 7.9 p90 -163.93 140.59 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.053 0.454 . . . . 0.0 111.879 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 14.2 m-85 -81.11 144.52 31.63 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.736 HD22 ' HB2' ' B' ' 6' ' ' ALA . 43.8 tp -170.4 142.09 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 111.598 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.0 40.89 75.3 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.573 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.454 ' HB3' HD11 ' D' ' 12' ' ' LEU . 73.3 mt-30 54.63 37.47 28.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 78' ' ' LEU . 28.5 m -157.88 132.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.62 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -72.13 135.06 46.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.189 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.632 HD12 ' HE1' ' B' ' 76' ' ' PHE . 55.4 mt -118.77 141.3 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' B' ' 86' ' ' PHE . 63.0 tp -136.26 140.39 43.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 55' ' ' HIS . 62.5 tp -154.44 145.5 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' B' ' 66' ' ' VAL . 13.0 p90 178.48 130.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.595 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.4 ptmm? -93.06 170.41 9.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.481 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -151.55 133.69 15.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.555 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.545 ' HE2' ' HA ' ' C' ' 1' ' ' MET . 10.2 mmt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.684 0.278 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 47.0 mmtm -79.39 135.05 36.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.091 0.472 . . . . 0.0 111.266 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.557 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 22.5 m-20 -102.44 113.06 26.08 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.628 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' VAL . 42.5 m -73.18 144.44 46.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.154 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.613 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -157.82 123.96 1.34 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.083 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.93 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.7 pp -162.24 142.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.102 0.477 . . . . 0.0 111.721 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 22.2 pt20 -97.41 94.64 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.317 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.74 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 47.7 t -69.98 140.06 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.798 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.945 -0.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' C' ' 11' ' ' ASP . 0.0 OUTLIER -64.07 125.67 25.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.507 ' N ' ' HD3' ' C' ' 10' ' ' ARG . 2.9 p30 -171.45 41.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.602 HD12 ' N ' ' C' ' 12' ' ' LEU . 4.5 mp -87.51 47.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.054 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.84 129.88 11.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.731 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.73 39.44 3.09 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.952 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' C' ' 16' ' ' SER . 22.1 pttp 179.23 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 16' ' ' SER . . . . . 0.417 ' N ' ' HG3' ' C' ' 15' ' ' LYS . 57.0 m -67.59 -42.91 81.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.797 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 36.8 m170 62.9 130.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.921 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.451 ' N ' HG23 ' B' ' 70' ' ' THR . 65.0 mtt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.423 ' O ' ' CD2' ' B' ' 68' ' ' HIS . 54.3 mtpt -157.04 133.38 9.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.547 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 2.1 p30 -80.05 121.8 25.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.985 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.539 HG21 ' CE2' ' B' ' 86' ' ' PHE . 15.3 t -83.97 146.84 27.79 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.628 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -149.79 131.16 3.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.228 -0.987 . . . . 0.0 112.369 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.818 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -160.28 138.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.09 0.471 . . . . 0.0 111.937 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.515 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 11.2 pt20 -117.02 76.73 1.06 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.534 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.407 ' CG2' ' OH ' ' B' ' 75' ' ' TYR . 43.7 t -69.46 138.42 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 35.0 t70 -172.31 50.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.591 ' NH2' HD13 ' D' ' 12' ' ' LEU . 16.4 ptm180 -62.72 -45.55 92.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 58.05 51.6 8.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.235 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.656 HD23 ' H ' ' D' ' 12' ' ' LEU . 2.7 pt? -75.35 45.88 0.31 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.965 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.37 137.3 58.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.805 0.336 . . . . 0.0 110.724 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.59 50.91 2.57 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.462 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.433 ' O ' ' OG ' ' D' ' 16' ' ' SER . 62.9 tttp -179.35 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.889 0.345 . . . . 0.0 110.969 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 16' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' D' ' 15' ' ' LYS . 66.3 m -172.73 132.82 0.57 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -179.36 -46.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.765 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.899 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.759 0.314 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.7 m -60.08 135.22 57.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.82 130.08 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.934 ' HB2' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -59.5 122.09 13.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -71.74 -47.23 55.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.289 -179.715 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.727 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 53.07 72.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.337 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.512 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 34.0 m -70.6 140.74 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.693 0.283 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 76' ' ' PHE . 20.4 mt -125.67 137.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.077 0.465 . . . . 0.0 112.142 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -113.17 -52.49 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.909 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -101.64 143.99 30.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.129 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.75 51.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.305 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.42 57.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.981 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 53.5 ttp -165.68 160.96 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.237 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -44.38 141.74 1.79 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.607 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 16' ' ' GLU . 16.4 pt-20 -53.89 -47.28 71.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.861 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 12.5 pt-20 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.247 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 64.7 mtt -61.96 -48.42 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.748 ' CB ' HD12 ' A' ' 74' ' ' ILE . 13.8 pt20 -63.75 -39.59 94.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 97.1 mm-40 -66.7 -39.55 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.678 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -63.57 -35.61 81.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.683 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.475 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.9 m -67.64 -44.28 78.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.902 0.382 . . . . 0.0 110.178 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG21 HD11 ' A' ' 8' ' ' ILE . 95.7 t -62.66 -46.89 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.655 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.24 -44.18 76.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.201 0.524 . . . . 0.0 110.118 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.6 t -65.71 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.729 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.672 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.75 -38.12 76.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 109.819 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.2 m -60.59 -48.44 81.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.314 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 84.9 mt-30 -58.7 -40.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.91 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.39 -44.91 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.185 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 38' ' ' ILE . 65.6 mt -61.3 -49.57 76.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 pt-20 -68.74 -30.13 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -83.24 -34.11 25.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.884 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -128.28 -45.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.741 -0.384 . . . . 0.0 112.009 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 66.51 45.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.59 HD12 ' OD2' ' A' ' 37' ' ' ASP . 57.3 mt -151.25 124.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 11.7 pm0 -45.73 -44.26 13.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.717 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.452 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 16.7 ttpp -66.78 -53.31 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.0 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.59 ' OD2' HD12 ' A' ' 34' ' ' ILE . 29.1 m-20 -56.0 -45.22 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.383 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 29' ' ' LEU . 89.8 mt -51.87 -52.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -65.38 -28.88 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.173 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -61.21 -48.95 79.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.255 -178.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 25' ' ' ALA . 65.0 mt -58.66 -39.41 76.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 3.3 tppp? -58.14 -52.44 65.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.32 -41.21 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.456 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.0 mm-40 -56.34 -50.37 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 111.164 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.446 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.3 m-85 -69.19 -46.41 67.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 52' ' ' PRO . 28.9 m-20 -55.31 -40.76 71.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 111.252 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -75.42 -42.7 52.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.172 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.0 mtpt -78.48 -70.27 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.555 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 6.9 m-30 -74.0 -14.36 61.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 33.1 m-20 90.92 143.98 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 123.329 0.393 . . . . 0.0 110.364 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 38.0 Cg_endo -66.12 171.86 9.54 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.416 2.077 . . . . 0.0 112.798 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 12.3 t -115.46 123.09 47.71 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 122.649 0.379 . . . . 0.0 110.959 0.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.632 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.9 m95 -93.51 137.67 32.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.054 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 27.1 m-70 -111.38 134.55 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.67 ' O ' HD13 ' A' ' 57' ' ' ILE . 46.5 t -134.47 147.27 50.35 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 56' ' ' CYS . 40.7 mm -147.06 138.1 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.294 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' ALA . 43.9 t -152.5 135.44 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.713 0.292 . . . . 0.0 111.228 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.608 ' O ' HG23 ' A' ' 81' ' ' VAL . . . 177.57 -140.66 4.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.753 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 58.9 mtt85 -159.33 36.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 19.5 t30 165.94 82.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.846 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.473 ' HB3' ' CD2' ' B' ' 62' ' ' PHE . 2.3 p90 -160.43 138.69 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.411 0.624 . . . . 0.0 112.601 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.583 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -120.78 133.76 9.89 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.775 ' HB2' HD13 ' B' ' 57' ' ' ILE . 79.6 p -159.28 167.01 30.02 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.724 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 17.1 m-85 -134.66 144.01 47.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.604 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 6.2 t -156.27 161.84 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.939 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.486 HG23 ' O ' ' C' ' 1' ' ' MET . 92.1 m -117.84 145.57 44.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 28.6 p80 -164.64 147.82 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.144 0.497 . . . . 0.0 112.083 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -58.16 141.93 48.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.023 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.0 p -56.15 154.15 8.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.414 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 71' ' ' LYS . 0.6 OUTLIER 61.7 40.88 12.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.486 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.432 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 91.2 m-70 -159.51 48.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.934 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 8.2 t80 -157.88 146.88 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.448 . . . . 0.0 111.505 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.748 HD12 ' CB ' ' A' ' 18' ' ' GLN . 7.4 tt -161.48 145.25 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.672 ' CD2' HD13 ' A' ' 84' ' ' LEU . 2.2 t80 -138.9 134.92 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' A' ' 83' ' ' ILE . 9.3 p90 -165.44 142.16 5.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.512 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 4.2 m-85 -94.56 145.69 24.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.65 178.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.934 HD11 ' HB2' ' A' ' 4' ' ' ARG . 31.1 tp -151.53 139.02 19.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.035 0.445 . . . . 0.0 111.841 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.551 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 66.35 -64.57 0.16 Allowed Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.267 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' LEU . 4.6 pt20 178.63 37.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.771 0.32 . . . . 0.0 110.261 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -158.05 144.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -80.52 135.2 36.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.594 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.526 HD12 ' HE1' ' A' ' 76' ' ' PHE . 57.0 mt -125.01 143.24 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 75' ' ' TYR . 56.9 tp -137.17 140.0 41.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.933 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.475 HD23 ' OG ' ' A' ' 21' ' ' SER . 55.0 tp -157.44 136.57 11.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.49 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.532 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.4 p90 -172.88 127.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.632 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 22.1 ptmt -92.72 167.41 11.9 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.1 0.476 . . . . 0.0 111.644 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m -148.84 131.12 15.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.641 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.514 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.8 0.334 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 82.8 m -61.59 134.12 56.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 62.69 130.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 0.8 OUTLIER -72.68 116.04 12.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.782 ' HD3' HD11 ' B' ' 78' ' ' LEU . 0.0 OUTLIER -56.7 -31.65 64.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.073 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.776 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -50.22 132.8 24.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.615 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 29.8 m -101.62 137.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.732 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.628 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -82.94 144.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -128.76 -35.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.825 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -147.49 49.49 1.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 111.733 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -61.66 136.02 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.559 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -158.47 62.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 0.0 111.443 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.472 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 21.9 ptm -170.89 -174.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.1 m -55.65 136.84 50.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 55.8 mt-10 -54.98 -44.97 74.94 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.359 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.518 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -61.57 -41.74 97.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.257 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.472 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 66.3 mtt -65.7 -46.3 79.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.269 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.839 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.9 pt20 -66.46 -38.25 86.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.5 pt20 -72.42 -37.7 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.468 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.6 -37.77 77.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.432 ' OG ' HD23 ' B' ' 85' ' ' LEU . 47.8 t -67.53 -43.64 80.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.051 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 18' ' ' GLN . 67.7 t -64.32 -47.17 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.11 -42.35 84.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.046 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -64.41 -33.95 77.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.652 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.713 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.47 -39.05 77.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 109.905 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.505 ' OG1' HD21 ' B' ' 78' ' ' LEU . 86.9 m -60.3 -45.06 94.68 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.173 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.42 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 84.1 mt-30 -60.37 -42.82 96.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.117 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.68 -42.53 75.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.194 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.782 ' CD2' HD11 ' B' ' 38' ' ' ILE . 50.2 mt -63.59 -48.64 76.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.573 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 11.9 pt-20 -68.64 -29.23 67.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.4 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -86.69 -36.41 18.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -113.8 -43.14 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 66.13 38.06 4.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 110.39 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.9 mt -153.75 123.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.555 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.71 ' HA ' HD12 ' B' ' 38' ' ' ILE . 15.2 pt-20 -47.19 -43.71 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.909 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -54.63 -57.44 11.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.911 0.386 . . . . 0.0 111.787 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.11 -40.2 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.057 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.782 HD11 ' CD2' ' B' ' 29' ' ' LEU . 81.2 mt -50.05 -59.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.778 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' ' 43' ' ' LYS . . . -65.66 -27.56 68.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.724 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -66.85 -63.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.53 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.62 -45.67 85.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.468 -178.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' B' ' 25' ' ' ALA . 83.0 mt -59.54 -41.6 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.783 0.325 . . . . 0.0 111.26 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.49 ' HB3' ' NZ ' ' B' ' 43' ' ' LYS . 5.2 ttpm? -60.41 -54.88 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.338 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.1 pttp -59.31 -39.54 83.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.293 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -56.09 -50.39 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.426 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.476 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 35.0 m-85 -64.57 -44.33 91.05 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.3 m-20 -61.08 -36.67 80.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 111.177 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 4.4 tmtt? -71.61 -43.89 65.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.012 0.435 . . . . 0.0 111.397 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.23 -59.35 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.5 m-85 -80.8 -21.49 40.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.665 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 61.2 m-20 92.7 140.91 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.39 0 C-N-CA 122.593 0.357 . . . . 0.0 110.181 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.85 167.82 1.4 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.419 2.079 . . . . 0.0 112.852 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.724 HG22 ' O ' ' B' ' 88' ' ' SER . 11.8 t -117.34 121.23 40.55 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 122.607 0.363 . . . . 0.0 111.236 0.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.672 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.4 m95 -98.38 134.32 41.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.239 0.542 . . . . 0.0 112.186 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.482 ' O ' HD12 ' B' ' 85' ' ' LEU . 21.6 m-70 -112.88 139.53 48.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.135 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 64' ' ' SER . 52.6 t -140.9 140.08 34.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 0.0 112.273 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 64' ' ' SER . 38.2 mm -131.83 144.05 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.93 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 49.1 t -155.96 140.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 121.015 0.436 . . . . 0.0 111.75 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.76 -143.57 7.4 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.608 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.532 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 84.8 mtm180 -161.04 31.16 0.14 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 38.5 t30 168.16 81.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.202 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.4 p90 -169.09 148.08 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 112.302 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.47 133.33 11.38 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 59.4 m -122.94 146.85 47.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.439 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 9.7 t80 -150.24 125.74 10.22 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.927 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' B' ' 86' ' ' PHE . 47.8 t -157.85 163.69 1.22 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.352 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.565 ' N ' HG12 ' B' ' 66' ' ' VAL . 86.3 m -112.57 151.9 29.5 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.423 ' CD2' ' OG1' ' D' ' 4' ' ' THR . 27.3 p80 -165.49 138.98 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.065 0.459 . . . . 0.0 111.624 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.47 158.01 27.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.602 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.616 HG23 ' N ' ' D' ' 1' ' ' MET . 71.8 p -56.44 151.99 12.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 111.76 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 63.97 37.37 9.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.229 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.503 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 35.1 m80 -163.06 69.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.097 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.653 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 13.3 t80 -165.18 131.91 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.576 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.668 ' O ' HD12 ' B' ' 84' ' ' LEU . 12.3 tt -156.38 140.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.229 0.538 . . . . 0.0 111.913 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.492 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 54.0 t80 -142.54 139.72 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.468 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.674 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.6 p90 -168.9 143.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.148 0.499 . . . . 0.0 111.885 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.401 ' CE2' ' CZ ' ' D' ' 10' ' ' ARG . 4.6 m-85 -81.76 148.42 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.295 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.782 HD11 ' HD3' ' B' ' 5' ' ' LYS . 27.5 tp -167.06 139.11 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.194 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.459 ' HA3' HD13 ' B' ' 29' ' ' LEU . . . 55.2 39.51 71.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 57.81 36.07 26.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.789 0.328 . . . . 0.0 111.074 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.631 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.9 m -153.04 133.78 4.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.003 0.43 . . . . 0.0 110.867 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.492 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.88 135.82 49.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' B' ' 78' ' ' LEU . 58.0 mt -127.22 138.76 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.668 HD12 ' O ' ' B' ' 74' ' ' ILE . 61.2 tp -134.52 141.9 46.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.438 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.528 ' O ' HG22 ' B' ' 74' ' ' ILE . 57.0 tp -156.76 144.49 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.391 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.653 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 8.1 p90 176.67 136.36 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.701 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.672 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.7 ptmm? -91.59 170.22 10.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.153 0.502 . . . . 0.0 111.562 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.724 ' O ' HG22 ' B' ' 53' ' ' THR . 44.8 t -142.19 128.72 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.805 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.481 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 67' ' ' THR . 68.2 mtm . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.88 0.371 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.06 130.89 44.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -78.75 109.48 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.307 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.54 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.7 t -71.23 145.71 49.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.238 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.65 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -146.91 123.16 1.72 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.966 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.832 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.4 pp -162.18 148.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 111.805 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.583 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -147.17 145.72 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.077 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 50.5 t -149.44 153.31 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.504 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.796 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.49 ' CZ ' HD11 ' C' ' 12' ' ' LEU . 76.4 mtp180 -63.69 -40.07 95.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.68 51.31 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.743 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' C' ' 10' ' ' ARG . 88.1 mt -71.87 51.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.62 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 53.13 45.72 28.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.753 0.311 . . . . 0.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.86 -39.39 2.84 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.128 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -152.7 -44.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.91 0.355 . . . . 0.0 111.112 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 78.4 p -174.37 139.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -173.54 -47.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.646 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' C' ' 18' ' ' LYS . 12.8 mptt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.893 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.616 ' N ' HG23 ' B' ' 70' ' ' THR . 65.5 mtt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.751 0.31 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -158.19 136.77 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.095 0.474 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.557 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.3 t0 -82.92 119.26 24.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.655 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.483 ' N ' ' O ' ' B' ' 66' ' ' VAL . 31.9 m -71.22 144.4 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.221 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.529 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -155.24 127.93 2.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.444 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.893 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -160.3 142.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -117.4 139.21 51.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -137.57 146.44 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.025 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 -168.57 41.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.401 ' CZ ' ' CE2' ' B' ' 77' ' ' TYR . 99.2 mtt180 -73.12 -43.21 61.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 60.58 46.94 8.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.687 HD23 ' HD2' ' D' ' 18' ' ' LYS . 86.4 mt -78.28 49.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.524 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' D' ' 17' ' ' HIS . 37.3 t70 -68.61 -46.5 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.818 0.342 . . . . 0.0 110.727 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.34 41.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.601 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.99 -55.95 0.49 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 51.9 m -54.17 -46.42 72.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.629 0.252 . . . . 0.0 111.172 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' HIS . . . . . 0.427 ' HB2' ' HB3' ' D' ' 13' ' ' ASP . 27.4 m80 -67.32 -45.28 76.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 18' ' ' LYS . . . . . 0.687 ' HD2' HD23 ' D' ' 12' ' ' LEU . 61.8 tttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.3 m 62.57 134.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' HB3' ' HD3' ' A' ' 4' ' ' ARG . 1.5 m-20 62.56 143.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.501 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 1.4 mpp_? 65.6 130.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -158.16 -102.18 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.805 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 62.9 124.92 0.01 OUTLIER 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.707 0.289 . . . . 0.0 111.477 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.0 m -87.78 139.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.528 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.653 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -96.85 125.69 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.18 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -92.22 -38.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.697 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -168.59 135.88 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.224 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -155.95 136.18 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 111.887 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' PHE . 55.6 m-20 -122.54 54.36 1.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.989 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.437 ' HE2' ' CA ' ' A' ' 72' ' ' HIS . 43.7 ttm -138.1 153.84 49.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.904 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.3 m -45.15 141.14 2.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 95.1 mt-10 -53.42 -46.96 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.804 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.49 -43.98 96.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.431 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 61.2 mtt -60.02 -50.05 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.396 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.865 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.5 pt20 -59.44 -36.66 76.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.252 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.5 mm100 -62.73 -42.84 99.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.118 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.21 -36.05 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.546 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -67.32 -41.43 85.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.3 t -62.85 -50.69 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.263 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.38 -44.74 90.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.804 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.04 -32.05 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.741 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.35 -40.52 77.46 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.833 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -57.79 -44.65 86.43 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.909 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.45 -40.52 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.579 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.911 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -51.96 -48.44 64.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.58 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 61.2 mt -59.07 -52.22 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.286 0.565 . . . . 0.0 110.665 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.58 -30.46 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.145 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 98.4 mttt -81.16 -38.52 27.0 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 7.3 m-85 -139.11 -56.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.58 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 43.2 t30 63.89 50.66 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.528 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 34' ' ' ILE . 46.4 mt -136.09 30.34 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 59.17 -70.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.007 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' ILE . 18.3 ttpp -58.74 -53.91 53.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.123 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -52.71 -40.79 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.911 HG23 ' CB ' ' A' ' 28' ' ' ALA . 62.6 mt -54.68 -50.44 59.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -66.71 -30.27 70.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.929 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -63.44 -55.55 23.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.49 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.76 -45.15 68.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.854 0.359 . . . . 0.0 111.826 -178.76 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 ' HA ' ' A' ' 25' ' ' ALA . 68.8 mt -63.21 -47.26 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.776 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -61.97 -52.69 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.313 -179.01 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -57.69 -34.85 69.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.598 -179.172 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 44.6 tt0 -63.78 -52.16 61.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.555 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 48.9 m-85 -65.87 -44.45 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 13.3 t70 -52.2 -44.84 64.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -79.46 -44.2 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.134 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -72.14 -65.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.6 m-85 -79.76 -11.18 59.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.253 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.15 145.08 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.787 0.435 . . . . 0.0 110.431 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.487 ' HB3' ' OD1' ' A' ' 47' ' ' ASP . 39.9 Cg_endo -66.39 168.26 16.66 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.498 2.132 . . . . 0.0 113.043 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.517 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.6 t -115.71 125.4 52.76 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 122.634 0.374 . . . . 0.0 110.671 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.616 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.1 m95 -97.82 131.42 44.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.256 0.551 . . . . 0.0 112.089 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.512 ' CE1' HG23 ' A' ' 53' ' ' THR . 17.0 m-70 -111.07 137.53 48.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.312 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.527 ' HB2' HD13 ' A' ' 85' ' ' LEU . 51.1 t -141.32 150.16 42.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 112.274 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 62' ' ' PHE . 51.5 mt -149.12 147.62 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.837 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -153.92 137.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.151 0.5 . . . . 0.0 111.614 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.9 -137.45 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.921 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.634 ' HA ' HG11 ' C' ' 8' ' ' VAL . 0.0 OUTLIER -177.27 37.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.537 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 44.2 t30 169.28 70.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.308 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' CG ' ' HB3' ' B' ' 62' ' ' PHE . 20.8 p90 -168.28 133.96 1.85 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.19 141.64 30.4 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.405 ' OG ' ' CE2' ' A' ' 62' ' ' PHE . 59.6 m -136.2 143.78 44.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.668 0.734 . . . . 0.0 112.938 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 7.0 t80 -146.9 134.26 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.935 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 86' ' ' PHE . 30.1 t -155.72 166.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.725 0.298 . . . . 0.0 111.565 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 66' ' ' VAL . 99.7 m -130.05 140.58 50.83 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -153.52 154.2 33.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.962 0.411 . . . . 0.0 111.634 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 70' ' ' THR . 5.3 tp10 -57.29 -110.48 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 69' ' ' GLU . 60.1 p -163.46 159.24 21.95 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 112.056 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 6.9 mmpt? 66.55 39.76 3.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.449 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.509 ' HB2' ' HG2' ' A' ' 87' ' ' LYS . 3.5 p80 -175.56 51.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.052 0.453 . . . . 0.0 111.819 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.725 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.0 t80 -130.51 140.53 50.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.974 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.706 HD12 ' CB ' ' A' ' 18' ' ' GLN . 10.7 tt -163.2 131.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.391 0.615 . . . . 0.0 111.953 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.595 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 38.6 t80 -129.06 133.83 47.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.346 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 1.6 p90 -165.17 138.66 4.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.111 0.482 . . . . 0.0 112.261 -178.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.643 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 4.4 m-85 -85.79 156.03 20.77 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.621 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' A' ' 6' ' ' ALA . 54.9 tp -154.7 132.85 11.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.51 -64.79 0.17 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.954 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . 25.8 pt20 179.43 38.22 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.883 0.373 . . . . 0.0 110.122 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.6 m -156.91 131.81 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . . . -69.91 139.71 52.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -125.52 131.81 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.515 HD21 ' HE2' ' A' ' 86' ' ' PHE . 53.1 tp -126.12 140.32 52.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 56' ' ' CYS . 64.4 tp -158.64 141.87 14.86 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.881 0.372 . . . . 0.0 111.312 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.725 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 4.7 p90 176.78 139.97 0.07 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 64.0 pttt -95.64 170.29 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.102 0.477 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 53' ' ' THR . 43.4 t -148.58 139.3 22.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.728 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.338 -1.257 . . . . 0.0 112.469 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 84.4 m 62.79 132.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.91 131.35 47.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.521 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 4.8 tmm_? -177.68 128.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.146 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.521 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.4 mmtt -149.91 -139.12 0.09 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.423 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.99 ' HB2' HD22 ' B' ' 78' ' ' LEU . . . 64.02 124.85 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.695 0.283 . . . . 0.0 111.092 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.6 m -93.26 136.02 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 111.586 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.614 ' CG2' ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -77.4 133.95 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.049 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' B' ' 9' ' ' LYS . 3.5 mmmp? -119.68 -29.94 4.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.055 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -150.85 50.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.596 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -60.6 143.93 52.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -170.97 53.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.412 ' CE ' ' HB3' ' B' ' 17' ' ' MET . 55.3 ttp -169.25 162.91 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.694 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -40.59 138.01 1.04 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 111.621 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -53.99 -43.66 70.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.671 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -62.41 -40.65 97.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.412 ' HB3' ' CE ' ' B' ' 13' ' ' MET . 65.5 mtt -65.13 -50.86 64.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.016 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.816 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.5 pt20 -66.47 -38.29 87.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.621 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.93 -38.86 79.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.595 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.01 -39.27 94.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -68.58 -41.11 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.888 0.375 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.869 HG22 ' CE2' ' B' ' 76' ' ' PHE . 48.0 t -64.63 -45.98 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.401 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -46.83 71.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.231 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 88.1 m -67.34 -28.73 68.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.16 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.914 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -72.46 -41.08 66.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.081 0.467 . . . . 0.0 109.988 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 86.7 m -61.88 -46.42 89.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.461 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 85.4 mt-30 -60.7 -40.61 92.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.076 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.662 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -55.87 -44.35 78.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.212 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.886 ' CD2' HD11 ' B' ' 38' ' ' ILE . 59.7 mt -64.36 -41.58 96.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -65.59 -36.93 85.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.628 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 61.0 pttt -89.76 -36.36 15.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HE3' ' B' ' 31' ' ' LYS . 44.7 m-85 -111.1 -45.25 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 62.57 45.36 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.298 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.519 ' O ' HG13 ' B' ' 38' ' ' ILE . 58.2 mt -148.77 123.72 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' B' ' 38' ' ' ILE . 13.1 pt-20 -46.74 -44.68 19.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.009 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.502 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.9 ttpm? -61.66 -57.33 12.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.936 0.398 . . . . 0.0 111.566 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.21 -43.59 64.31 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.239 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.886 HD11 ' CD2' ' B' ' 29' ' ' LEU . 82.4 mt -47.32 -58.23 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.091 0.472 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' B' ' 43' ' ' LYS . . . -66.86 -23.74 66.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.074 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -63.93 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.848 0.356 . . . . 0.0 111.883 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.662 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.7 OUTLIER -68.52 -45.72 71.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 -179.078 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.914 HD11 ' HA ' ' B' ' 25' ' ' ALA . 69.1 mt -56.75 -46.11 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.583 ' NZ ' ' HA ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -63.81 -49.65 72.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.86 -179.622 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.15 -45.09 83.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.637 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 97.3 mt-10 -59.04 -47.2 86.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' B' ' 42' ' ' ILE . 4.7 m-85 -65.17 -45.41 84.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.687 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.1 m-20 -60.0 -33.53 72.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 4.5 tmtt? -80.48 -42.7 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 97.4 mttt -78.53 -60.53 2.34 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.12 -17.99 38.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 93.28 144.03 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.42 0 C-N-CA 122.696 0.398 . . . . 0.0 110.065 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' B' ' 47' ' ' ASP . 34.1 Cg_exo -61.36 170.53 5.17 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.306 2.004 . . . . 0.0 112.626 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.59 HG22 ' HB3' ' B' ' 88' ' ' SER . 9.7 t -118.16 116.13 26.21 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 111.051 0.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.719 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -91.57 147.31 23.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.959 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' B' ' 85' ' ' LEU . 20.5 m-70 -125.2 137.03 54.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.738 ' O ' HD13 ' B' ' 57' ' ' ILE . 51.2 t -143.0 147.07 34.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.25 0.548 . . . . 0.0 112.074 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.738 HD13 ' O ' ' B' ' 56' ' ' CYS . 35.0 mm -143.75 144.77 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 61.1 t -150.68 132.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.101 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.88 -136.87 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.65 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.668 ' HD2' HD11 ' D' ' 12' ' ' LEU . 86.1 mtm180 -158.74 30.04 0.22 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.544 0.212 . . . . 0.0 111.546 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 164.87 83.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.589 ' HB3' ' CG ' ' A' ' 62' ' ' PHE . 3.5 p90 -155.63 133.28 11.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -96.99 147.72 18.77 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.41 ' HB3' HG23 ' A' ' 57' ' ' ILE . 81.5 p -159.04 150.43 20.4 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.15 0.975 . . . . 0.0 113.226 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.0 t80 -139.61 132.18 28.76 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.586 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.558 ' HB ' HG22 ' D' ' 4' ' ' THR . 35.4 t -155.69 165.94 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.43 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.556 ' N ' HG12 ' B' ' 66' ' ' VAL . 87.6 m -118.51 149.39 41.38 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 28.1 p80 -164.58 145.86 8.1 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.972 0.415 . . . . 0.0 111.956 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' D' ' 1' ' ' MET . 16.1 pt-20 -62.12 150.58 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.775 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.5 p -56.27 150.7 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.5 mmpt? 66.97 36.53 4.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.43 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.9 m80 -157.4 69.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.659 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.682 ' HE1' HD11 ' B' ' 84' ' ' LEU . 27.8 t80 -165.55 134.8 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.445 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.863 HD11 ' HD2' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -157.35 141.4 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.128 0.489 . . . . 0.0 111.63 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.749 ' N ' HD13 ' B' ' 74' ' ' ILE . 4.1 t80 -147.72 146.64 29.32 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.863 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.869 ' CE2' HG22 ' B' ' 22' ' ' VAL . 3.6 p90 -167.02 146.04 5.21 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.109 0.48 . . . . 0.0 111.897 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -92.47 141.56 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.956 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.99 HD22 ' HB2' ' B' ' 6' ' ' ALA . 57.0 tp -168.44 145.68 3.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 111.688 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.14 39.41 70.3 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.487 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.599 ' HB3' HD12 ' D' ' 12' ' ' LEU . 0.4 OUTLIER 55.29 38.18 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.811 0.339 . . . . 0.0 110.758 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.5 m -156.93 132.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.737 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -73.2 141.57 47.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.235 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.613 HD12 ' HE1' ' B' ' 76' ' ' PHE . 57.0 mt -132.52 142.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.604 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.782 HD12 ' O ' ' B' ' 74' ' ' ILE . 65.1 tp -143.03 145.63 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.709 HD21 ' CE3' ' B' ' 54' ' ' TRP . 5.4 tt -159.48 141.08 13.09 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.394 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.538 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.9 p90 -178.61 131.67 0.13 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.719 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 17.8 ptpt -81.99 156.9 24.44 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.59 ' HB3' HG22 ' B' ' 53' ' ' THR . 26.2 t -71.43 -152.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.72 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.422 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.534 ' CB ' HG22 ' A' ' 67' ' ' THR . 66.6 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.825 0.345 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -82.39 129.91 34.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -83.47 123.2 29.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.381 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 66' ' ' VAL . 8.9 t -86.27 132.4 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.294 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.481 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -119.52 126.36 6.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.481 HG23 ' O ' ' C' ' 5' ' ' GLY . 46.8 pt -161.54 170.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.021 0.438 . . . . 0.0 111.276 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -158.79 119.35 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.526 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.634 HG11 ' HA ' ' A' ' 60' ' ' ARG . 22.2 t -87.27 138.67 18.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.79 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.47 ' C ' HD12 ' C' ' 12' ' ' LEU . 8.0 tpt180 62.44 -134.16 0.5 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 59.59 40.84 19.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.506 HD12 ' N ' ' C' ' 12' ' ' LEU . 6.4 mp -81.8 50.0 1.45 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ASP . . . . . 0.451 ' HB2' ' HD2' ' C' ' 18' ' ' LYS . 38.7 t70 -178.81 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.706 0.289 . . . . 0.0 111.193 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' C' ' 15' ' ' LYS . . . 80.43 137.81 1.93 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.918 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' C' ' 14' ' ' GLY . 27.2 mtpp 70.32 -57.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 0.0 110.85 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.6 t -65.11 137.25 57.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.729 0.3 . . . . 0.0 110.45 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 46.78 0.95 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.809 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' LYS . . . . . 0.451 ' HD2' ' HB2' ' C' ' 13' ' ' ASP . 98.3 mttt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.88 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.42 ' HA ' ' HA ' ' B' ' 69' ' ' GLU . 56.3 ttp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.729 0.299 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -155.97 134.47 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.221 0.534 . . . . 0.0 111.004 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 11.0 p-10 -77.32 123.8 26.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.92 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.558 HG22 ' HB ' ' B' ' 66' ' ' VAL . 11.1 t -79.81 142.33 35.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.32 132.37 5.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.686 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.523 HD13 HD22 ' B' ' 84' ' ' LEU . 50.6 pt -153.38 168.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.972 0.415 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.493 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 19.2 pt20 -162.66 69.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.883 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.3 138.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 29.5 t70 -170.96 110.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.534 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 179.39 132.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' D' ' 13' ' ' ASP . 56.1 m-20 -81.78 48.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.355 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.668 HD11 ' HD2' ' B' ' 60' ' ' ARG . 2.8 mm? 67.86 -32.14 0.2 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.349 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' D' ' 11' ' ' ASP . 56.7 m-20 59.02 46.89 12.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 111.027 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.12 -44.42 93.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.429 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.37 -47.22 82.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -179.2 135.49 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -61.1 135.01 57.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.911 -179.897 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 94.4 mmm . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.72 0.295 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 1' ' ' MET . 50.4 t 69.18 -56.4 0.54 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.58 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.494 ' OD1' ' HG3' ' A' ' 4' ' ' ARG . 9.0 t0 -59.57 135.87 57.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.442 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.494 ' HG3' ' OD1' ' A' ' 3' ' ' ASP . 60.1 mtm180 63.01 36.91 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.037 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.653 ' HE3' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -61.25 -18.22 57.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.772 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -38.65 130.78 1.36 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG22 ' HB2' ' A' ' 77' ' ' TYR . 21.7 m -100.67 138.54 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.066 0.46 . . . . 0.0 111.719 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.7 mp -99.31 147.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.497 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -141.22 -47.5 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.1 m120 -103.21 48.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 111.233 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -61.9 128.6 36.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.82 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.01 58.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.474 ' HG2' ' HB2' ' A' ' 17' ' ' MET . 54.3 ttp -178.24 158.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 57.8 m -38.39 140.43 0.31 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.876 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -51.86 -48.6 63.95 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.84 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.55 -42.74 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.945 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.474 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 65.4 mtt -60.88 -49.64 76.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.641 ' CB ' HD12 ' A' ' 74' ' ' ILE . 12.9 pt20 -62.81 -40.93 98.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.855 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.33 -40.05 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.079 0.466 . . . . 0.0 110.186 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.518 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 38.2 t70 -64.0 -38.6 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.739 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.529 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.1 m -64.43 -46.35 83.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.135 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 18' ' ' GLN . 77.4 t -59.63 -47.5 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.077 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -68.06 -44.66 75.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.97 0.415 . . . . 0.0 110.177 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.8 -33.4 75.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.918 ' HB2' HD11 ' A' ' 42' ' ' ILE . . . -70.3 -39.92 74.54 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.383 0.611 . . . . 0.0 109.742 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.5 m -59.74 -47.12 86.93 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.611 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.57 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 41.5 tt0 -57.94 -49.17 77.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.895 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -49.74 -41.19 43.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.797 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 38' ' ' ILE . 56.6 mt -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.598 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.96 -25.32 67.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.066 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.57 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 4.7 mptp? -78.32 -32.06 49.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.958 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 51.8 m-85 -144.72 -39.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.666 ' O ' HD13 ' A' ' 34' ' ' ILE . 73.4 m-80 73.35 48.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.455 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 33' ' ' ASN . 49.4 mm -143.06 129.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.63 -41.49 42.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.494 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' H ' HG22 ' A' ' 34' ' ' ILE . 35.8 ttpt -62.9 -56.12 20.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.003 0.43 . . . . 0.0 111.22 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -53.82 -43.62 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.17 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.922 HD11 HD21 ' A' ' 29' ' ' LEU . 78.1 mt -47.29 -44.75 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 111.044 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.822 ' HB1' ' HB2' ' A' ' 56' ' ' CYS . . . -60.97 -38.18 85.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.069 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.36 82.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.661 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CD2' ' CB ' ' A' ' 28' ' ' ALA . 73.5 m-70 -60.29 -57.18 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.999 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.918 HD11 ' HB2' ' A' ' 25' ' ' ALA . 68.5 mt -61.99 -35.9 70.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.221 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 11.3 tmtt? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 45' ' ' GLU . 65.0 pttt -63.28 -46.99 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.7 tp10 -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 111.419 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 4.9 m-85 -78.37 -42.59 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -60.26 -34.22 73.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.024 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.72 -41.03 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.983 0.421 . . . . 0.0 111.172 -179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -80.7 -58.11 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.9 m-85 -88.36 -14.12 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 65.7 m-20 94.86 143.69 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 C-N-CA 122.859 0.464 . . . . 0.0 110.544 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 43.7 Cg_endo -67.64 169.22 16.37 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.639 2.226 . . . . 0.0 113.046 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' THR . 13.0 t -116.77 123.0 46.08 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.715 0.406 . . . . 0.0 110.972 0.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.685 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.7 m95 -92.8 127.79 38.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 111.723 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.671 ' CD2' HG13 ' B' ' 66' ' ' VAL . 17.3 m80 -93.9 131.69 39.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.517 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.822 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 79.3 m -122.83 141.19 52.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.216 0.531 . . . . 0.0 112.073 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 56' ' ' CYS . 39.6 mm -147.18 137.51 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.501 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.411 HG11 HD12 ' A' ' 38' ' ' ILE . 45.9 t -152.59 135.43 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.838 0.351 . . . . 0.0 111.232 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.33 -131.54 1.83 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.252 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.666 ' HD2' HD21 ' C' ' 12' ' ' LEU . 24.1 ptt-85 -175.53 38.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER 167.68 80.7 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 14.3 p90 -162.06 135.84 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.549 0.69 . . . . 0.0 112.416 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -110.07 139.83 15.57 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.681 ' HB3' HG23 ' B' ' 57' ' ' ILE . 71.0 p -158.07 151.32 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.215 1.008 . . . . 0.0 113.603 -178.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CD2' ' HD3' ' B' ' 43' ' ' LYS . 35.4 t80 -126.56 131.45 51.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.057 178.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 67' ' ' THR . 21.9 t -153.57 168.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.588 ' N ' HG12 ' A' ' 66' ' ' VAL . 77.7 m -119.35 144.88 46.62 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -159.21 150.67 20.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.268 0.556 . . . . 0.0 112.198 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.5 152.91 10.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.28 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.536 HG22 ' HE3' ' C' ' 2' ' ' LYS . 70.2 p -57.19 142.69 41.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.148 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 71' ' ' LYS . 12.1 mptt 57.62 25.3 11.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.956 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.459 ' ND1' ' HG3' ' A' ' 87' ' ' LYS . 45.1 m170 -123.8 54.98 1.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.748 0.309 . . . . 0.0 110.836 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.828 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 7.8 t80 -166.38 148.38 6.7 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.641 HD12 ' CB ' ' A' ' 18' ' ' GLN . 8.5 tt -166.24 130.43 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-O 121.12 0.486 . . . . 0.0 111.93 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.536 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 48.2 t80 -113.12 140.98 47.44 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.444 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.5 p90 -168.73 138.15 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 111.777 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.504 ' HB2' HG22 ' A' ' 7' ' ' VAL . 9.8 m-85 -79.51 145.84 33.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.742 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' A' ' 6' ' ' ALA . 37.2 tp -170.34 139.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.587 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.469 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 55.63 43.21 86.12 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.621 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.2 mm100 54.61 34.67 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.704 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.6 m -158.5 131.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.549 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.501 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.94 123.32 21.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.563 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.528 HD13 ' HB1' ' A' ' 25' ' ' ALA . 53.7 mt -100.51 149.16 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.582 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.828 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 63.4 tp -142.99 140.79 31.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 42' ' ' ILE . 62.9 tp -150.35 138.94 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.447 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.515 ' HE2' HG11 ' A' ' 66' ' ' VAL . 5.1 p90 -173.14 120.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.685 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -86.06 170.18 12.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.224 0.535 . . . . 0.0 111.6 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t -153.62 130.87 11.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.741 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.295 -1.28 . . . . 0.0 112.46 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.786 0.327 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 85.1 m -61.38 -44.98 96.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 63.18 133.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.561 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 2.7 tmm_? -177.2 128.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.235 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.561 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.4 mmtt -147.82 -132.49 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.134 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' B' ' 78' ' ' LEU . . . 65.6 134.22 0.02 OUTLIER 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.183 -0.323 . . . . 0.0 111.32 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.7 m -97.47 138.29 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 111.899 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.859 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -81.94 145.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.518 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -129.64 -39.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -133.91 53.23 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.37 . . . . 0.0 111.227 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.859 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -57.27 137.49 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.0 t70 -175.41 53.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.37 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' B' ' 72' ' ' HIS . 51.2 ttm -168.69 151.97 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.369 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -40.97 139.89 0.82 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 111.896 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.412 ' HA ' ' CG ' ' B' ' 18' ' ' GLN . 16.7 pt-20 -51.21 -43.37 61.4 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.77 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.11 -42.59 98.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.109 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtt -64.93 -50.77 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.988 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.847 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.1 pt20 -64.37 -37.64 88.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.514 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -69.39 -41.96 75.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.547 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -68.04 -36.6 80.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.485 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 t -64.68 -44.0 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 18' ' ' GLN . 59.5 t -63.56 -46.37 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.19 -45.1 86.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.51 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.75 -35.12 78.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.068 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.883 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.31 -37.64 77.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.222 0.535 . . . . 0.0 109.91 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -61.75 -46.02 91.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.627 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -58.86 -46.86 86.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.31 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.8 ' HB3' HG23 ' B' ' 38' ' ' ILE . . . -54.78 -41.43 70.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.678 HD23 HD11 ' B' ' 38' ' ' ILE . 36.1 mt -61.85 -48.27 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.386 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -66.42 -32.54 73.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.048 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.55 ' HG3' ' CD2' ' B' ' 32' ' ' TYR . 0.1 OUTLIER -87.46 -29.27 21.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.717 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.598 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 43.7 m-85 -133.08 -49.16 0.86 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.45 -0.5 . . . . 0.0 112.293 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.626 ' O ' HD13 ' B' ' 34' ' ' ILE . 49.5 t30 69.45 49.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 33' ' ' ASN . 48.0 mm -136.13 134.47 50.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.535 ' CD ' HG12 ' B' ' 58' ' ' VAL . 3.9 mm-40 -54.36 -55.35 29.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' B' ' 36' ' ' LYS . 3.3 tmmm? -69.86 -48.87 57.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.557 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.3 m-20 -57.4 -47.42 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 111.633 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.8 HG23 ' HB3' ' B' ' 28' ' ' ALA . 96.9 mt -55.55 -45.96 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.407 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.98 73.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -65.7 -48.16 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.086 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.598 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 13.9 m-70 -61.82 -51.54 67.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.447 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.883 HD11 ' HA ' ' B' ' 25' ' ' ALA . 60.8 mt -56.27 -45.4 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.542 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.508 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 86.9 tttt -58.18 -52.7 64.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.954 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -55.99 -44.22 78.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.1 -47.85 80.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.621 0.248 . . . . 0.0 111.158 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' B' ' 85' ' ' LEU . 30.7 m-85 -65.19 -43.49 91.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.689 0.281 . . . . 0.0 111.587 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.56 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.3 m-20 -56.02 -36.95 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 110.717 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.3 tmtp? -72.55 -40.11 66.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.167 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -81.96 -62.79 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 15.6 m-85 -90.13 -17.25 28.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' B' ' 47' ' ' ASP . 57.9 m-20 91.64 142.47 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.37 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 51.0 Cg_exo -52.95 170.77 0.27 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 112.839 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.732 HG22 ' O ' ' B' ' 88' ' ' SER . 11.1 t -119.18 110.75 17.4 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 122.782 0.433 . . . . 0.0 111.328 0.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.741 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 23.0 m95 -86.95 117.99 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.232 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -91.12 134.27 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 37.6 t -131.3 149.9 52.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 112.364 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.681 HG23 ' HB3' ' A' ' 64' ' ' SER . 51.8 mt -148.41 149.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.106 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.535 HG12 ' CD ' ' B' ' 35' ' ' GLU . 45.6 t -156.35 138.76 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.025 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.48 -135.2 2.56 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.948 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.6 ptt180 -176.5 32.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.592 ' HA ' ' HA ' ' D' ' 9' ' ' ASP . 39.1 t30 167.14 82.56 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 110.368 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.623 ' HE2' HG21 ' B' ' 57' ' ' ILE . 6.1 p90 -172.55 134.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.731 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.17 136.64 17.18 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 87.4 p -125.21 150.61 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.427 0.613 . . . . 0.0 112.259 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.431 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 24.8 t80 -154.31 123.04 6.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.092 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.671 HG13 ' CD2' ' A' ' 55' ' ' HIS . 59.6 t -158.87 163.68 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 111.611 -178.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' B' ' 66' ' ' VAL . 95.2 m -112.27 156.51 22.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 22.6 p80 -170.31 143.91 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 111.897 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.49 153.58 31.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -57.72 153.11 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.648 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.588 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.51 38.84 7.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.756 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 82.7 m-70 -163.35 70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.701 ' CZ ' HG23 ' D' ' 4' ' ' THR . 2.1 t80 -164.0 126.87 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.312 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.722 ' O ' HD12 ' B' ' 84' ' ' LEU . 9.9 tt -153.76 134.53 4.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 0.0 112.018 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.581 ' OH ' HG22 ' D' ' 8' ' ' VAL . 4.9 t80 -138.97 138.12 37.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.284 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.814 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.1 p90 -166.77 138.2 3.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 40.5 m-85 -78.17 149.59 33.71 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.829 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.581 ' O ' HG22 ' B' ' 81' ' ' VAL . 47.7 tp -170.19 140.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.23 39.52 64.65 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.297 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 81' ' ' VAL . 72.7 mt-30 57.56 38.74 28.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.743 0.306 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.581 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.0 m -157.81 136.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.987 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.534 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.89 140.62 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -127.91 133.8 66.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.722 HD12 ' O ' ' B' ' 74' ' ' ILE . 61.7 tp -134.85 145.29 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 111.209 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' B' ' 46' ' ' PHE . 51.6 tp -159.89 142.97 13.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.526 ' CZ ' HG11 ' B' ' 66' ' ' VAL . 11.0 p90 -177.77 128.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.741 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -84.64 158.22 20.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 111.366 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.732 ' O ' HG22 ' B' ' 53' ' ' THR . 46.6 t -136.72 135.41 38.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.536 ' HE3' HG22 ' A' ' 70' ' ' THR . 0.8 OUTLIER -101.87 134.56 44.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.533 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.1 p30 -82.01 120.87 25.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.555 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.547 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.6 t -82.26 146.37 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.613 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -153.31 125.2 1.72 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.336 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.92 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.6 pp -160.43 136.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.103 0.478 . . . . 0.0 111.394 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -109.16 73.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.183 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.646 HG23 HD13 ' C' ' 6' ' ' ILE . 47.1 t -69.47 137.31 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.363 . . . . 0.0 111.008 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.799 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.606 HH12 HD23 ' C' ' 12' ' ' LEU . 41.6 ptt85 -83.24 136.19 34.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.744 0.307 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.55 ' C ' ' H ' ' C' ' 13' ' ' ASP . 55.8 m-20 -87.78 43.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.892 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.666 HD21 ' HD2' ' A' ' 60' ' ' ARG . 90.0 mt 68.07 -31.06 0.18 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.115 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' C' ' 11' ' ' ASP . 55.9 m-20 60.79 47.08 8.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.69 -127.7 34.19 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.432 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' C' ' 15' ' ' LYS . 62.3 tttm -167.3 48.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.458 . . . . 0.0 110.472 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 63.2 m -167.47 -43.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.691 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -65.8 -47.22 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.879 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' D' ' 1' ' ' MET . 51.1 ttp . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.982 0.42 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' B' ' 68' ' ' HIS . 46.5 mmtm -158.13 137.28 11.61 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.784 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.535 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 8.3 t0 -117.81 115.46 25.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.813 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.701 HG23 ' CZ ' ' B' ' 73' ' ' PHE . 52.1 m -75.59 140.98 42.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.137 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.591 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -159.84 128.37 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.183 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.892 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -161.46 146.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 111.768 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -103.61 87.69 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.318 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.817 HG23 HD13 ' D' ' 6' ' ' ILE . 80.3 t -69.37 140.84 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 0.0 111.244 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.592 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 -169.64 35.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.085 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.569 ' O ' HD23 ' D' ' 12' ' ' LEU . 38.5 ptt180 44.63 51.38 8.15 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.245 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -78.45 44.19 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.749 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.782 HD23 ' H ' ' D' ' 12' ' ' LEU . 2.6 pt? -96.22 35.88 1.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.261 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.07 131.18 45.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.408 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.3 57.29 4.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.253 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm 65.87 44.19 2.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.985 0.421 . . . . 0.0 110.633 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -178.61 131.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.612 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -49.37 134.4 18.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.36 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 57.5 tptt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.843 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -177.25 43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 179.83 133.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.791 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.687 ' HG3' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -57.16 126.7 28.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.988 -179.673 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -91.75 23.72 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.411 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.949 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -58.8 124.99 21.65 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.3 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -101.28 138.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.998 0.428 . . . . 0.0 111.896 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.5 mp -77.67 144.78 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.055 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 31.5 mmmt -128.13 -38.17 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.397 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -146.55 53.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 111.028 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.567 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.42 142.0 34.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.472 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -170.65 56.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.496 ' HE2' ' HA ' ' A' ' 72' ' ' HIS . 50.0 ttm -165.95 161.94 17.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.405 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.439 ' N ' ' HG2' ' A' ' 13' ' ' MET . 54.1 m -49.63 136.26 17.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -50.51 -44.27 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.503 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 17' ' ' MET . 24.3 pt-20 -59.85 -46.38 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 65.8 mtt -58.83 -44.92 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.687 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.91 ' HG2' HD12 ' A' ' 74' ' ' ILE . 34.6 mt-30 -55.34 -43.49 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.25 -43.59 98.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.44 -38.68 87.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.581 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -68.75 -45.7 70.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.315 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.87 HG22 ' CE2' ' A' ' 76' ' ' PHE . 47.1 t -67.33 -41.03 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.08 -43.26 78.95 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.387 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.28 -38.93 92.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.578 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.775 ' CB ' HD11 ' A' ' 42' ' ' ILE . . . -67.49 -35.98 80.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.7 m -60.45 -45.4 93.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.397 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -59.8 -46.65 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.399 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -56.72 -37.08 70.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.02 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.865 ' CD2' HD11 ' A' ' 38' ' ' ILE . 63.6 mt -66.18 -49.54 67.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.453 . . . . 0.0 111.396 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -72.22 -32.54 66.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.05 -16.92 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.097 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE2' ' NE2' ' A' ' 41' ' ' HIS . 46.7 m-85 -144.81 -36.66 0.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 54.59 50.57 15.69 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.492 ' O ' HG13 ' A' ' 38' ' ' ILE . 66.6 mt -146.46 127.37 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.62 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.92 -47.53 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.788 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' D' ' 7' ' ' GLN . 19.4 ttpp -58.32 -55.19 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.381 . . . . 0.0 111.319 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 55.4 m-20 -54.66 -44.85 73.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.536 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.865 HD11 ' CD2' ' A' ' 29' ' ' LEU . 98.7 mt -51.64 -42.51 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.978 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.43 -42.3 79.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.693 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.19 89.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 64.2 m-70 -68.14 -54.31 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.893 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.775 HD11 ' CB ' ' A' ' 25' ' ' ALA . 65.2 mt -58.59 -42.1 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.6 -52.93 63.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.184 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 41' ' ' HIS . 64.9 pttt -62.21 -44.3 96.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 5.2 mm-40 -55.58 -48.08 75.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.313 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 28.1 m-85 -71.94 -44.64 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 37.5 m-20 -55.77 -34.64 65.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -83.34 -40.14 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -80.17 -60.36 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.7 m-85 -85.79 -18.82 31.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 93.99 144.74 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 C-N-CA 122.848 0.459 . . . . 0.0 110.138 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 38.5 Cg_exo -61.02 169.33 6.12 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.469 2.113 . . . . 0.0 112.91 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -116.99 121.49 41.52 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 0.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.63 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 25.3 m95 -94.53 127.86 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.054 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 21.6 m-70 -101.35 136.41 41.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -135.81 148.11 48.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.392 0.615 . . . . 0.0 112.375 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.56 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 51.9 mt -148.39 135.15 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.848 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 50.6 t -145.11 133.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.997 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.89 -132.03 1.82 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.217 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.4 ptt180 -179.03 40.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 41.1 t30 163.13 82.39 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.231 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CZ ' HG22 ' A' ' 57' ' ' ILE . 10.7 p90 -171.87 137.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.357 0.598 . . . . 0.0 112.464 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.64 150.46 19.66 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.648 ' HB3' HG23 ' B' ' 57' ' ' ILE . 70.2 p -166.39 154.89 10.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 23.4 m-85 -138.11 137.5 37.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.097 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 14.2 t -155.11 159.83 2.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.88 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.42 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.3 m -116.93 147.74 41.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -165.28 154.43 12.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.21 0.528 . . . . 0.0 112.076 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -59.09 140.02 56.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.104 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.4 HG23 ' N ' ' C' ' 1' ' ' MET . 67.5 p -58.96 150.94 23.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.6 37.41 7.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.637 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.496 ' HA ' ' HE2' ' A' ' 13' ' ' MET . 66.4 m80 -155.66 56.34 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.629 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 6.8 t80 -160.06 144.81 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.912 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.91 HD12 ' HG2' ' A' ' 18' ' ' GLN . 11.1 tt -160.01 129.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.361 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.543 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 37.8 t80 -125.83 133.7 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.547 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.87 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -165.94 137.35 3.78 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.87 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 64.4 m-85 -73.88 154.69 39.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.277 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.949 HD13 ' HB2' ' A' ' 6' ' ' ALA . 37.6 tp -161.87 132.65 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 111.91 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.41 -65.39 0.26 Allowed Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.067 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.677 ' HB2' HD21 ' C' ' 12' ' ' LEU . 19.0 pt20 179.47 35.67 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.91 0.386 . . . . 0.0 110.102 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.8 m -160.85 135.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.752 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.87 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -69.96 126.83 30.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.0 mt -106.5 136.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 60.5 tp -128.13 141.38 51.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 46' ' ' PHE . 50.0 tp -156.87 138.58 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.451 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.514 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.6 p90 -178.23 126.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.641 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.63 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -96.45 170.14 9.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.18 0.514 . . . . 0.0 111.807 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.473 ' N ' ' HD3' ' A' ' 87' ' ' LYS . 39.8 t -148.4 136.74 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.326 -1.263 . . . . 0.0 112.512 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.436 ' O ' ' HG2' ' B' ' 1' ' ' MET . 51.2 ttp . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.34 134.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 62.89 138.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 3.7 tmm_? -172.63 124.35 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.546 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 2.8 mptp? -132.86 -121.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.528 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.811 ' HB2' ' CG ' ' B' ' 78' ' ' LEU . . . 68.86 138.36 0.03 OUTLIER 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.959 0.409 . . . . 0.0 111.642 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.0 m -107.62 136.83 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.627 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.884 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -89.66 145.98 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.075 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -135.47 -43.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.976 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' B' ' 75' ' ' TYR . 0.3 OUTLIER -114.88 51.76 0.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.021 0.439 . . . . 0.0 110.271 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.884 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -55.06 137.01 47.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.226 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -177.68 52.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.46 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.54 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 52.2 ttm -167.48 148.16 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.081 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -42.46 145.52 0.41 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.923 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.551 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 24.5 pt-20 -55.28 -44.93 76.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.707 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -65.8 -45.27 83.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.54 ' HB2' ' HG2' ' B' ' 13' ' ' MET . 86.5 mtp -62.4 -49.42 75.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.873 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.2 pt20 -64.93 -38.29 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.619 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -68.31 -39.98 81.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -67.2 -37.49 83.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.655 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.78 -42.43 86.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.033 0.444 . . . . 0.0 110.036 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.905 HG22 ' CE2' ' B' ' 76' ' ' PHE . 51.9 t -63.33 -49.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.471 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' B' ' 23' ' ' GLU . 5.2 mm-40 -65.43 -42.72 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.83 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -61.73 -34.31 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.648 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.802 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.02 -38.83 79.43 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.8 m -59.5 -45.69 90.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.19 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.91 -39.14 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.836 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.88 -45.95 78.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.234 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' B' ' 38' ' ' ILE . 61.6 mt -64.0 -43.89 94.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.001 0.429 . . . . 0.0 111.03 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.54 -33.62 76.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -86.61 -40.8 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.916 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -112.95 -45.49 3.18 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 66.35 44.91 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.964 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.562 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.6 mt -154.12 124.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' B' ' 38' ' ' ILE . 11.9 pt-20 -45.12 -44.76 10.82 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -59.45 -58.21 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.5 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 58.9 m-20 -54.6 -42.51 71.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.238 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.82 HD11 ' CD2' ' B' ' 29' ' ' LEU . 75.9 mt -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 111.061 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' B' ' 43' ' ' LYS . . . -66.61 -23.14 66.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.986 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -67.67 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.486 -178.675 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.802 HD11 ' HA ' ' B' ' 25' ' ' ALA . 72.9 mt -60.37 -44.01 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.476 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.51 ' C ' ' HD3' ' B' ' 43' ' ' LYS . 13.2 tmtt? -61.71 -49.81 74.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 20.2 pttp -64.99 -41.37 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.411 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.11 -56.68 17.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.601 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 42.3 m-85 -62.93 -43.94 97.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.435 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.6 t0 -54.52 -43.44 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.79 -45.25 37.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.985 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.23 -69.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.0 m-30 -72.41 -11.74 60.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.967 -178.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 90.93 143.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 O-C-N 123.505 0.503 . . . . 0.0 110.456 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.412 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 23.5 Cg_endo -61.64 168.91 7.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.32 2.013 . . . . 0.0 112.29 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.569 HG22 ' O ' ' B' ' 88' ' ' SER . 9.5 t -113.64 130.05 56.46 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.892 0.477 . . . . 0.0 110.464 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.601 ' CE2' ' HB3' ' B' ' 46' ' ' PHE . 24.7 m95 -103.31 133.74 47.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.49 ' ND1' HG13 ' A' ' 66' ' ' VAL . 23.4 m-70 -111.85 136.32 51.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.045 -0.98 . . . . 0.0 108.598 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.3 t -141.78 149.51 40.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.248 0.547 . . . . 0.0 112.295 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 64' ' ' SER . 39.5 mt -148.65 142.35 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.066 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.06 134.67 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.59 -130.08 1.55 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.249 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 23.2 ptt-85 -174.14 35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.705 0.288 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 43.5 t30 168.74 80.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.714 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.523 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 4.9 p90 -155.89 130.16 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' D' ' 6' ' ' ILE . . . -103.23 139.5 14.48 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.446 ' HB2' HG12 ' A' ' 57' ' ' ILE . 76.2 p -163.44 163.05 25.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.711 1.255 . . . . 0.0 114.297 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' D' ' 4' ' ' THR . 17.8 m-85 -135.5 143.96 46.09 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.862 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.633 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 24.4 t -159.15 161.28 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.796 HG23 ' HG2' ' D' ' 2' ' ' LYS . 81.4 m -109.79 139.22 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.456 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 31.1 p80 -157.68 136.51 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 111.662 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.417 ' HG3' ' CG ' ' B' ' 72' ' ' HIS . 16.5 pt-20 -57.58 148.87 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.8 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -57.37 148.65 22.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.7 35.92 8.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.551 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.417 ' CG ' ' HG3' ' B' ' 69' ' ' GLU . 58.7 m80 -153.83 69.42 0.79 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.732 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.641 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.8 t80 -176.42 143.44 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.75 HD12 ' HB2' ' B' ' 18' ' ' GLN . 7.8 tt -155.01 131.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.282 0.563 . . . . 0.0 112.096 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.59 ' HB3' ' HB3' ' B' ' 10' ' ' ASN . 5.3 t80 -130.82 134.72 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.905 ' CE2' HG22 ' B' ' 22' ' ' VAL . 2.7 p90 -169.98 135.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.128 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 52.6 m-85 -72.81 149.27 43.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.811 ' CG ' ' HB2' ' B' ' 6' ' ' ALA . 3.5 tt -170.09 138.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.759 ' N ' HD23 ' B' ' 78' ' ' LEU . . . 55.51 40.38 77.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 81' ' ' VAL . 14.1 mp0 57.83 36.19 26.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.682 0.277 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.8 m -158.39 135.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.498 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -69.85 136.39 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.192 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 56.0 mt -119.42 141.26 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 65.7 tp -140.04 139.92 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.426 HD11 ' HE3' ' B' ' 54' ' ' TRP . 58.3 tp -158.87 140.24 13.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.706 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.641 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.3 p90 -177.55 133.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' B' ' 53' ' ' THR . 63.5 pttt -99.57 142.58 30.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 111.609 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.569 ' O ' HG22 ' B' ' 53' ' ' THR . 46.7 t -111.7 132.07 54.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.471 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.4 ' N ' HG23 ' A' ' 70' ' ' THR . 1.9 mpt? . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -154.24 129.9 10.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.559 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -81.08 117.46 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.838 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.519 HG22 ' HB ' ' A' ' 66' ' ' VAL . 15.3 t -74.97 141.16 44.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.105 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.94 134.19 6.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.4 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -155.87 170.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.12 0.486 . . . . 0.0 111.718 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.504 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 38.9 tt0 -157.84 69.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.31 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 52.7 t -69.43 142.17 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.798 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.476 ' NH2' ' CD1' ' A' ' 77' ' ' TYR . 33.1 ptt180 -89.53 -43.13 11.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 111.321 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' C' ' 13' ' ' ASP . 1.5 m-20 58.83 35.56 24.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 80' ' ' GLN . 4.6 mp 67.12 -35.67 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' C' ' 11' ' ' ASP . 8.2 t70 68.58 -55.49 0.53 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.72 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.97 -125.21 0.83 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.404 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' C' ' 15' ' ' LYS . 0.2 OUTLIER -57.41 -38.34 74.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.818 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p -171.09 134.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' HIS . . . . . 0.438 ' CD2' ' HE2' ' C' ' 18' ' ' LYS . 24.2 p-80 -54.63 134.92 47.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' LYS . . . . . 0.469 ' HG3' ' OXT' ' C' ' 18' ' ' LYS . 58.6 pttt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.459 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.968 0.413 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.796 ' HG2' HG23 ' B' ' 67' ' ' THR . 0.0 OUTLIER -167.0 132.39 2.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.21 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 -163.95 107.12 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.316 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.568 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.1 t -70.01 148.92 48.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.984 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.605 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -152.54 129.42 2.76 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.887 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -159.5 134.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 111.792 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' D' ' 7' ' ' GLN . 14.4 pt20 -110.0 73.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.486 HG23 HD13 ' D' ' 6' ' ' ILE . 38.7 t -69.11 131.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.512 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.6 m-20 -156.73 35.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.412 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.464 ' CZ ' ' CE2' ' B' ' 77' ' ' TYR . 40.2 ttm180 -81.82 123.2 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.768 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.539 ' C ' ' H ' ' D' ' 13' ' ' ASP . 38.7 t70 -95.16 33.8 1.49 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.349 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.601 HD12 ' N ' ' D' ' 12' ' ' LEU . 4.8 mp 65.99 -35.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.438 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' D' ' 11' ' ' ASP . 35.1 t70 -177.47 143.34 0.36 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.08 -122.03 0.62 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.542 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -46.31 -29.81 1.8 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.701 0.286 . . . . 0.0 111.333 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -157.61 136.89 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -56.82 129.58 41.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.97 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' LYS . . . . . 0.543 ' N ' ' HD2' ' D' ' 18' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.7 mmm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.787 0.327 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.4 m 59.68 44.06 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -178.8 137.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 63.31 142.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -176.61 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.829 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -49.29 130.27 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.849 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.8 m -95.84 138.49 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.324 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.826 HG12 ' HB2' ' A' ' 11' ' ' ALA . 9.3 tp -85.64 141.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 3.8 mmmp? -120.41 -52.17 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.392 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ALA . 6.1 m120 -92.45 -60.63 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.605 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.826 ' HB2' HG12 ' A' ' 8' ' ' ILE . . . 60.35 131.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 36.5 t70 -177.54 56.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 0.0 111.435 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.439 ' HB2' ' CE ' ' A' ' 17' ' ' MET . 16.4 ptp -171.54 -177.05 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 m -58.28 140.01 54.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -52.86 -46.42 67.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.496 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.6 pt-20 -69.53 -37.16 77.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.439 ' CE ' ' HB2' ' A' ' 13' ' ' MET . 38.6 ttp -68.33 -42.33 79.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.923 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.609 ' HB2' HD12 ' A' ' 74' ' ' ILE . 15.8 pt20 -65.21 -41.94 93.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.21 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 3.1 pt20 -63.0 -37.98 89.36 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.07 -36.71 80.36 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.916 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.1 t -63.77 -43.48 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.708 HG13 ' HB3' ' A' ' 6' ' ' ALA . 59.3 t -63.45 -46.55 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.419 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.68 -45.83 84.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.149 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.29 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.755 ' HB2' HD11 ' A' ' 42' ' ' ILE . . . -68.88 -36.78 78.49 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 109.812 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -60.91 -48.11 83.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.735 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -59.12 -47.43 85.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB2' ' CB ' ' A' ' 41' ' ' HIS . . . -54.34 -36.55 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.678 ' CD2' HD11 ' A' ' 38' ' ' ILE . 54.6 mt -63.56 -47.72 80.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.641 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.37 -26.25 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.093 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 26.9 mmmt -90.2 -51.19 5.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.453 0.644 . . . . 0.0 109.979 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' C ' ' H ' ' A' ' 34' ' ' ILE . 8.5 m-85 -137.15 94.61 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.612 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -70.28 24.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 111.131 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -98.7 136.2 30.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.539 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.6 mt-10 -48.43 -49.22 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.824 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.512 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 6.3 ttpm? -60.49 -57.35 13.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.337 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 32' ' ' TYR . 59.8 m-20 -52.07 -42.35 63.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 29' ' ' LEU . 86.5 mt -48.0 -43.96 11.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.437 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -63.16 -30.33 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.012 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -65.27 -45.89 82.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.599 ' CB ' ' HB2' ' A' ' 28' ' ' ALA . 27.6 m-70 -63.75 -62.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.755 HD11 ' HB2' ' A' ' 25' ' ' ALA . 64.7 mt -55.12 -42.75 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.312 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 13.3 tmtt? -61.98 -52.35 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 41' ' ' HIS . 64.5 pttt -68.78 -45.41 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 97.5 mt-10 -53.93 -48.94 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.516 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 20.9 m-85 -65.99 -44.47 84.76 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.67 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 30.0 m-20 -55.97 -33.97 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.643 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.82 -42.82 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.357 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -76.28 -69.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 49.8 m-85 -80.75 -14.8 57.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.527 -0.761 . . . . 0.0 113.015 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 4.8 m120 90.08 145.49 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 122.528 0.331 . . . . 0.0 110.115 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -55.83 168.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.113 1.875 . . . . 0.0 112.562 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 88' ' ' SER . 11.3 t -113.16 130.87 56.07 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.853 0.461 . . . . 0.0 111.23 0.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.522 ' NE1' ' HD3' ' A' ' 87' ' ' LYS . 27.4 m95 -112.28 135.83 52.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.021 0.439 . . . . 0.0 111.469 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . 14.7 m-70 -111.97 150.26 30.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -150.76 150.95 31.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.844 0.831 . . . . 0.0 113.183 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.792 HG23 ' O ' ' B' ' 63' ' ' GLY . 57.1 mt -151.71 136.06 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.196 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 HG23 ' A' ' 83' ' ' ILE . 55.1 t -136.26 136.35 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.373 . . . . 0.0 111.374 -179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' HA2' ' OE1' ' A' ' 35' ' ' GLU . . . 179.56 -131.75 1.72 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.56 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 37.4 ptt85 -179.84 44.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.647 0.26 . . . . 0.0 111.477 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.576 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 40.6 t30 162.9 82.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 2.2 p90 -166.61 130.47 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.576 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.73 136.9 12.94 Favored Glycine 0 CA--C 1.511 -0.195 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.795 ' HB3' HD13 ' B' ' 57' ' ' ILE . 19.9 m -164.54 161.63 21.28 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CD1' ' HB3' ' B' ' 39' ' ' ALA . 12.9 m-85 -123.14 148.71 45.42 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.84 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 43.5 t -157.1 162.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.537 ' N ' HG12 ' A' ' 66' ' ' VAL . 60.9 m -125.41 140.29 52.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' CG ' ' HB2' ' A' ' 73' ' ' PHE . 33.3 p80 -159.12 147.76 18.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.458 ' HG3' ' ND1' ' A' ' 72' ' ' HIS . 24.3 pt-20 -68.77 147.58 51.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.975 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.0 p -54.06 144.6 18.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.803 0.335 . . . . 0.0 111.375 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.639 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 67.79 34.15 4.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.306 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.458 ' ND1' ' HG3' ' A' ' 69' ' ' GLU . 58.4 m80 -155.02 52.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.791 ' CE1' HD11 ' A' ' 84' ' ' LEU . 43.8 t80 -166.52 144.7 5.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.221 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.696 HG13 HD11 ' A' ' 8' ' ' ILE . 9.2 tt -167.15 139.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.305 0.574 . . . . 0.0 112.184 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 82' ' ' ALA . 44.2 t80 -132.25 138.12 47.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.463 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.538 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 7.5 p90 -167.69 141.55 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.842 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 65.0 m-85 -81.4 151.32 27.98 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 6' ' ' ALA . 28.9 tp -162.98 134.89 5.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.45 -67.88 0.25 Allowed Glycine 0 C--N 1.334 0.451 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.31 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 81' ' ' VAL . 18.5 tt0 -177.81 34.11 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.056 0.455 . . . . 0.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.2 m -163.24 140.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.842 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -82.43 125.32 30.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.372 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.632 ' N ' HD12 ' A' ' 83' ' ' ILE . 2.0 mp -105.33 134.05 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.688 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.791 HD11 ' CE1' ' A' ' 73' ' ' PHE . 55.4 tp -119.93 122.2 40.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.479 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.578 ' HB3' HG23 ' A' ' 74' ' ' ILE . 58.8 tp -109.08 141.65 40.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 111.232 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.581 ' HB2' ' HB2' ' A' ' 55' ' ' HIS . 20.4 m-85 -133.83 154.8 50.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.544 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.522 ' HD3' ' NE1' ' A' ' 54' ' ' TRP . 18.0 tptm -152.61 121.36 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.1 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 53' ' ' THR . 50.7 m -121.8 134.51 54.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.006 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.453 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 79.8 m -59.93 -43.96 94.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -158.6 134.24 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.861 ' NH1' HG21 ' B' ' 26' ' ' THR . 7.2 tpm_? -61.07 121.7 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.462 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 75.1 mmtt -63.2 -132.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.658 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 65.48 126.4 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' B' ' 77' ' ' TYR . 27.2 m -84.45 139.69 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.009 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' B' ' 11' ' ' ALA . 18.5 mt -113.88 143.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -137.37 9.66 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.839 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.463 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 75.4 m-20 -162.17 42.34 0.13 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -66.86 134.58 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.726 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -175.52 69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.714 0.292 . . . . 0.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.899 ' O ' ' HB2' ' B' ' 17' ' ' MET . 23.6 ptm -176.37 54.92 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.738 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 33.5 t 62.75 135.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 110.986 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -54.0 -46.1 71.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.088 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.97 -44.97 87.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.428 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.899 ' HB2' ' O ' ' B' ' 13' ' ' MET . 66.4 mtt -63.25 -50.99 68.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.869 ' HB2' HD12 ' B' ' 74' ' ' ILE . 17.3 pt20 -61.89 -40.58 95.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.852 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -68.98 -37.75 78.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.825 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.87 -36.89 85.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.696 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -67.36 -44.33 79.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.968 0.413 . . . . 0.0 110.073 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.85 HG22 ' CE2' ' B' ' 76' ' ' PHE . 47.8 t -64.49 -45.96 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.365 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.32 -43.76 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.145 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.57 -35.91 82.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.963 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.901 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -67.34 -37.62 83.57 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.275 0.559 . . . . 0.0 109.99 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.861 HG21 ' NH1' ' B' ' 4' ' ' ARG . 95.5 m -63.34 -45.66 90.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.554 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.43 -44.49 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' B' ' 38' ' ' ILE . . . -58.2 -43.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.713 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 1.055 HD21 HD11 ' B' ' 38' ' ' ILE . 43.8 mt -56.91 -43.31 81.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.922 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.16 -31.29 71.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.447 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 68.1 mttm -78.01 -37.59 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' B' ' 33' ' ' ASN . 66.7 m-85 -130.3 -49.19 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.652 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.853 ' C ' HD12 ' B' ' 34' ' ' ILE . 50.1 t30 79.03 43.62 0.07 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.375 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.853 HD12 ' C ' ' B' ' 33' ' ' ASN . 3.0 mp -140.21 132.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.444 ' CB ' HG12 ' B' ' 58' ' ' VAL . 13.5 pm0 -46.3 -38.29 8.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.412 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.639 ' H ' HG22 ' B' ' 34' ' ' ILE . 18.1 ttpp -63.99 -54.31 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 59.9 m-20 -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.699 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 1.055 HD11 HD21 ' B' ' 29' ' ' LEU . 71.1 mt -48.43 -40.5 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 110.649 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.626 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -67.57 -36.72 81.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.21 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.31 -53.81 53.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.728 0.299 . . . . 0.0 111.303 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.447 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 78.5 m-70 -60.49 -57.41 12.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.986 0.422 . . . . 0.0 111.532 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.901 HD11 ' HB2' ' B' ' 25' ' ' ALA . 63.9 mt -56.14 -41.01 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.068 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.543 ' HZ2' ' HB3' ' B' ' 43' ' ' LYS . 6.6 ttpm? -59.36 -56.49 21.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.28 -45.69 90.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.1 mm-40 -53.61 -46.48 70.42 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.53 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 39.0 m-85 -80.35 -44.36 19.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -60.05 -36.66 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.374 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -81.49 -40.31 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -79.29 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.712 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.7 m-85 -84.28 -16.21 43.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 60.7 m-20 92.22 142.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.341 0 C-N-CA 122.725 0.41 . . . . 0.0 110.105 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.446 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -58.72 171.76 1.86 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.394 2.063 . . . . 0.0 112.737 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.667 HG22 ' O ' ' B' ' 88' ' ' SER . 12.8 t -116.19 113.79 23.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.751 0.42 . . . . 0.0 111.109 0.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.649 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.2 m95 -91.25 129.02 37.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 112.302 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.478 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 59.8 m-70 -103.01 133.12 48.66 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.452 ' O ' HD13 ' B' ' 57' ' ' ILE . 50.2 t -127.32 138.77 53.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.09 0.472 . . . . 0.0 112.037 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.795 HD13 ' HB3' ' A' ' 64' ' ' SER . 29.9 mm -131.4 139.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.739 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.447 HG11 HD12 ' B' ' 38' ' ' ILE . 45.3 t -153.87 133.54 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.939 0.399 . . . . 0.0 111.592 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 170.48 -145.24 8.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.66 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 17.7 mmm180 -162.29 36.99 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 170.56 79.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.742 ' CZ ' HG21 ' D' ' 8' ' ' VAL . 21.2 p90 -168.56 133.7 1.69 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.187 0.517 . . . . 0.0 112.281 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.792 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -80.14 131.65 10.7 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 52.7 m -115.16 137.32 52.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.611 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 2.6 t80 -151.55 117.15 5.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.616 HG12 ' N ' ' B' ' 67' ' ' THR . 25.5 t -156.48 170.14 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.616 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.0 m -124.42 141.98 51.66 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 30.3 p80 -162.41 151.72 15.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.927 0.394 . . . . 0.0 111.871 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -60.52 148.13 38.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.007 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.748 HG23 ' N ' ' D' ' 1' ' ' MET . 74.6 p -62.39 154.24 28.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.053 0.454 . . . . 0.0 111.668 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.727 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 66.15 38.75 4.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.817 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 36.2 m80 -163.42 69.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.833 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 8.3 t80 -169.93 142.31 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.869 HD12 ' HB2' ' B' ' 18' ' ' GLN . 6.8 tt -159.63 140.73 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.255 0.55 . . . . 0.0 112.322 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.539 ' CE1' ' HB1' ' B' ' 82' ' ' ALA . 45.5 t80 -134.17 135.41 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.362 -0.836 . . . . 0.0 108.939 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.85 ' CE2' HG22 ' B' ' 22' ' ' VAL . 9.8 p90 -166.52 140.28 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.97 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.741 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 58.9 m-85 -88.96 148.64 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.264 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.658 HD13 ' HB2' ' B' ' 6' ' ' ALA . 22.3 tp -159.62 134.96 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.618 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.59 -65.3 0.28 Allowed Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.939 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.439 ' O ' HG13 ' B' ' 81' ' ' VAL . 26.0 pt20 178.1 36.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.935 0.398 . . . . 0.0 110.332 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.439 HG13 ' O ' ' B' ' 80' ' ' GLN . 26.8 m -159.61 137.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.097 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.741 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -77.37 143.52 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.647 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.488 ' N ' HD12 ' B' ' 83' ' ' ILE . 4.3 mp -126.5 138.74 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.863 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 46.6 tp -135.6 145.95 47.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.479 HD22 ' CG2' ' B' ' 42' ' ' ILE . 61.9 tp -157.26 145.41 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.329 . . . . 0.0 111.352 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.572 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 14.2 p90 -178.17 130.13 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.649 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -89.4 145.56 25.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.913 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.667 ' O ' HG22 ' B' ' 53' ' ' THR . 47.9 t -115.25 120.83 40.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.677 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.459 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.464 ' SD ' HG22 ' A' ' 67' ' ' THR . 20.7 ptp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -99.38 135.79 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.549 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 1.1 m-20 -74.34 121.98 22.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.454 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 11.2 t -86.8 136.25 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.18 136.89 11.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.21 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -147.88 167.54 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.132 0.492 . . . . 0.0 111.631 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.576 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.1 pt20 -160.49 69.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.475 HG21 ' OH ' ' A' ' 75' ' ' TYR . 50.0 t -71.47 141.41 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.793 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.473 ' CZ ' ' CZ ' ' A' ' 77' ' ' TYR . 13.9 ptp180 -91.07 -41.91 10.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 0.0 111.357 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' C' ' 13' ' ' ASP . 15.1 m-20 64.54 39.38 6.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.43 HD11 ' HG2' ' A' ' 80' ' ' GLN . 82.0 mt 67.29 -17.52 0.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.485 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' C' ' 11' ' ' ASP . 26.0 m-20 64.05 133.69 0.02 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.853 0.358 . . . . 0.0 110.905 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.58 -47.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.469 ' HB3' ' NZ ' ' C' ' 15' ' ' LYS . 3.5 mmmp? -60.52 -40.25 90.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 110.665 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 44.4 m -165.63 134.25 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.553 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -58.49 135.29 57.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.037 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.729 179.893 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.748 ' N ' HG23 ' B' ' 70' ' ' THR . 57.4 ttp . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.722 0.296 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -155.15 136.79 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.108 0.48 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.3 p-10 -70.98 125.56 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.688 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.475 HG22 ' HB ' ' B' ' 66' ' ' VAL . 8.9 t -74.44 139.51 44.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.443 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -138.33 117.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.073 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.443 HG23 ' O ' ' D' ' 5' ' ' GLY . 45.3 pt -161.16 170.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.36 . . . . 0.0 110.725 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -144.37 111.8 6.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.742 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 60.1 t -81.8 140.53 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.003 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -157.74 132.84 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -60.65 129.6 42.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.815 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.427 ' HA ' ' HE2' ' D' ' 18' ' ' LYS . 54.9 m-20 -161.54 38.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 78.3 mt -84.72 47.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -159.73 45.69 0.25 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.05 -130.42 32.89 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.611 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.501 ' HB3' ' NZ ' ' D' ' 15' ' ' LYS . 8.4 mtpm? -155.83 143.53 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.707 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 16' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' D' ' 17' ' ' HIS . 48.9 m 65.52 47.75 2.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.643 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 17' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' D' ' 16' ' ' SER . 92.6 m-70 -160.13 -41.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.736 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 18' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' D' ' 11' ' ' ASP . 7.9 ptpp? . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.702 0.287 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 p -178.27 44.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.962 0.411 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.69 44.96 13.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 36.3 mmt180 57.61 43.82 21.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.012 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 22.2 tptm 72.35 -39.18 0.44 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.651 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 78' ' ' LEU . . . -52.79 129.57 30.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.723 0.296 . . . . 0.0 111.567 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -98.38 136.75 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.084 0.468 . . . . 0.0 111.657 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -87.92 127.95 40.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.738 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.517 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 31.5 mmmt -81.22 -33.7 32.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.478 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -155.16 -48.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . 64.12 145.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 33.7 t70 -169.55 62.68 0.05 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.069 0.461 . . . . 0.0 110.913 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.4 ptp -174.82 166.77 3.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -41.24 140.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.594 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -52.53 -48.21 66.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.351 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.3 -39.04 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.69 -51.67 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.76 ' O ' HG23 ' A' ' 22' ' ' VAL . 12.9 pt20 -60.72 -39.07 87.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.818 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.67 -44.1 87.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.578 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -60.79 -37.98 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.3 m -66.43 -42.54 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.962 0.41 . . . . 0.0 109.997 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.951 HG22 ' CE2' ' A' ' 76' ' ' PHE . 43.8 t -64.4 -45.91 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.211 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -64.51 -48.08 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.9 m -65.51 -34.61 78.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.356 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.928 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.76 -37.49 73.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.163 0.506 . . . . 0.0 109.769 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.9 m -65.09 -50.2 67.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.448 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 10.7 mm100 -59.29 -36.34 75.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.845 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.826 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -58.48 -48.74 79.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.004 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.34 -46.76 87.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.531 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 11.3 pt-20 -66.66 -28.21 68.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 9.0 mtpm? -85.67 -41.53 15.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.42 -46.39 2.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.84 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.512 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER 66.9 49.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.993 0.425 . . . . 0.0 110.35 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.591 ' O ' HG12 ' A' ' 38' ' ' ILE . 55.5 mt -149.49 114.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -41.74 -44.54 3.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.26 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -64.11 -57.41 9.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.413 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.4 m-20 -59.44 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.332 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.826 HG23 ' CB ' ' A' ' 28' ' ' ALA . 4.7 mm -50.73 -53.23 14.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -63.79 -26.16 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' B' ' 65' ' ' TYR . . . -64.25 -57.76 8.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.823 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.613 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -64.05 -46.48 84.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.858 -179.339 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.928 HD11 ' HA ' ' A' ' 25' ' ' ALA . 64.7 mt -60.31 -37.62 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.11 -52.99 62.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -70.19 -43.0 71.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.904 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.61 -52.91 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.519 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 42' ' ' ILE . 8.1 m-85 -71.48 -44.57 64.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.639 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 8.7 t0 -54.03 -35.99 62.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.5 tmtt? -73.89 -49.68 23.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.352 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.73 -70.01 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.296 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 5.8 m-30 -68.77 -15.88 63.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.866 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 66.0 m-20 95.37 145.38 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 C-N-CA 122.866 0.466 . . . . 0.0 111.095 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.447 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 20.5 Cg_endo -61.2 163.16 17.74 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.689 2.259 . . . . 0.0 112.432 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 15.3 t -120.41 130.47 54.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.132 0.573 . . . . 0.0 110.366 0.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m95 -97.56 128.83 44.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 32.9 m-70 -95.37 129.84 42.37 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.685 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.739 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 73.4 m -124.75 142.72 51.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.406 0.622 . . . . 0.0 112.451 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 84' ' ' LEU . 51.9 mt -150.37 133.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.4 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 83' ' ' ILE . 40.3 t -153.6 140.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.81 -135.92 3.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.702 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.586 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 76.8 mtp180 -159.74 36.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.586 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 162.05 84.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' C' ' 8' ' ' VAL . 3.6 p90 -155.33 129.22 8.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.07 135.43 12.43 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 109.779 -1.329 . . . . 0.0 109.779 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.1 t -154.36 154.1 32.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.187 0.994 . . . . 0.0 113.676 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -137.93 129.74 28.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.167 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 4' ' ' THR . 15.8 t -153.73 162.3 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.4 m -108.24 153.4 23.26 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.51 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 23.7 p80 -168.11 145.52 4.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.055 0.455 . . . . 0.0 112.185 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HB3' ' ND1' ' A' ' 72' ' ' HIS . 17.3 tp10 -56.8 158.92 4.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.381 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.539 HG23 ' N ' ' C' ' 1' ' ' MET . 69.4 p -56.15 150.39 14.19 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.264 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.66 22.97 13.37 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.799 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 53.8 m170 -126.45 67.35 1.23 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.344 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.639 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 t80 -160.85 132.52 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 111.216 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.797 ' O ' HD12 ' A' ' 84' ' ' LEU . 11.2 tt -162.64 140.41 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 9' ' ' LYS . 38.0 t80 -152.52 136.2 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.676 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.951 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.0 p90 -168.99 140.85 2.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 0.0 111.902 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.759 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 7.3 m-85 -87.1 158.8 19.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.106 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 24.5 tp -165.2 133.97 3.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 111.668 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 67.55 -65.31 0.28 Allowed Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.094 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 81' ' ' VAL . 26.0 pt20 179.4 35.96 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.5 m -158.41 136.35 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.96 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . . . -85.75 128.03 34.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.601 ' N ' HD12 ' A' ' 83' ' ' ILE . 3.4 mp -110.04 136.39 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 74' ' ' ILE . 64.3 tp -127.57 143.94 51.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.771 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 74' ' ' ILE . 53.0 tp -155.19 142.26 19.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.053 0.454 . . . . 0.0 111.094 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 3.3 p90 -176.05 124.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.052 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 21.8 ptmt -94.12 170.61 9.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 0.0 111.85 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.1 m -151.81 133.56 14.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.607 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.509 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.881 0.372 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 78.8 m -153.97 135.17 14.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -60.58 137.63 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 1.4 mpp_? 60.04 45.87 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.5 -34.07 70.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.704 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -45.44 132.69 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.782 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 22.4 m -100.23 137.05 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.989 0.424 . . . . 0.0 111.63 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.889 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -84.34 141.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.963 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -128.54 -38.85 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.461 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -132.09 56.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 111.17 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -60.04 128.41 36.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.77 60.93 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.132 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.2 ttm -177.97 158.14 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 38.0 t -46.97 140.75 4.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.442 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.415 ' HA ' ' CG ' ' B' ' 18' ' ' GLN . 50.5 mt-10 -52.4 -44.65 65.47 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.863 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -59.29 -44.98 92.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.676 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.76 -46.15 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.294 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.853 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.6 pt20 -65.61 -36.69 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.517 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.5 pt20 -71.68 -39.13 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.838 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -69.83 -36.97 76.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.694 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.4 m -67.82 -42.61 81.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.923 0.392 . . . . 0.0 110.199 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 18' ' ' GLN . 64.8 t -65.44 -46.87 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.1 -42.46 84.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.27 -35.36 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.614 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.813 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -68.39 -37.66 80.6 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.794 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.197 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.428 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 99.4 mm-40 -60.35 -40.82 92.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.177 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -57.13 -43.38 82.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.868 ' CD2' HD11 ' B' ' 38' ' ' ILE . 49.3 mt -62.56 -48.36 79.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.597 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 10.9 pt-20 -65.23 -29.06 69.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.746 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 21.8 ptmt -89.41 -37.99 14.42 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.435 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 42.4 m-85 -111.37 -43.75 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 67.19 41.06 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.39 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.534 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -151.26 124.14 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.58 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' B' ' 38' ' ' ILE . 10.0 pt-20 -48.85 -46.86 42.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.186 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.43 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 0.1 OUTLIER -60.95 -48.93 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -56.68 -41.96 78.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 111.202 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.868 HD11 ' CD2' ' B' ' 29' ' ' LEU . 64.9 mt -54.38 -54.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.244 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -65.55 -28.19 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.386 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.46 -64.16 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.567 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -63.75 -45.32 90.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.592 -178.688 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.813 HD11 ' HA ' ' B' ' 25' ' ' ALA . 83.3 mt -59.75 -43.32 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.225 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' B' ' 43' ' ' LYS . 5.8 tmtm? -57.83 -51.96 67.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.774 0.321 . . . . 0.0 110.514 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.54 -53.47 57.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.021 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.425 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.6 m-85 -70.15 -42.49 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.057 0.456 . . . . 0.0 110.825 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.8 t0 -55.03 -41.83 71.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -77.03 -46.95 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.51 -62.35 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.479 0.657 . . . . 0.0 112.137 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.4 m-85 -77.39 -15.71 59.23 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.991 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.53 143.18 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.405 0 C-N-CA 122.93 0.492 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.427 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 30.8 Cg_endo -63.85 167.07 14.53 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.48 2.12 . . . . 0.0 112.653 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.514 HG23 ' CE1' ' B' ' 55' ' ' HIS . 12.3 t -116.08 127.02 54.52 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.84 0.456 . . . . 0.0 110.643 -0.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 28.7 m95 -99.21 130.96 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 0.0 112.255 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.514 ' CE1' HG23 ' B' ' 53' ' ' THR . 15.7 m-70 -110.59 133.6 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.839 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.406 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 49.3 t -134.43 153.53 51.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.415 0.626 . . . . 0.0 112.624 -178.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.523 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 55.7 mt -149.55 143.41 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.169 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -155.25 136.35 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.271 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.42 -132.21 1.81 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.019 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 24.1 ptt-85 -177.78 36.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 111.52 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 42.0 t30 166.13 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.99 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.1 p90 -173.38 141.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.383 0.611 . . . . 0.0 112.435 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -106.27 141.12 15.41 Favored Glycine 0 C--N 1.329 0.148 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.48 ' HB2' HG12 ' A' ' 57' ' ' ILE . 66.5 p -156.62 153.76 29.09 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.765 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 28.8 m-85 -127.18 143.35 51.28 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.696 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.665 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 38.2 t -157.21 162.92 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-O 120.474 0.178 . . . . 0.0 111.297 -178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.789 HG23 ' HG2' ' D' ' 2' ' ' LYS . 51.6 m -111.37 142.58 43.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.464 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 29.3 p80 -157.91 135.34 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 111.89 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -55.41 144.51 25.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.192 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 25.1 p -53.08 146.88 10.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.954 0.407 . . . . 0.0 111.556 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm 64.27 37.18 8.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.585 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 67.2 m80 -157.51 69.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.814 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.677 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 37.0 t80 -163.97 138.53 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.519 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.66 HD12 ' CB ' ' B' ' 18' ' ' GLN . 11.3 tt -158.66 135.95 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.312 0.577 . . . . 0.0 112.036 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.428 ' HD2' HD13 ' B' ' 84' ' ' LEU . 4.6 t80 -137.72 134.09 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.087 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.846 ' CE2' HG22 ' B' ' 22' ' ' VAL . 9.0 p90 -165.87 143.24 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.141 0.496 . . . . 0.0 112.053 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 6.1 m-85 -76.65 145.99 38.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.979 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' B' ' 6' ' ' ALA . 36.2 tp -168.59 141.29 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.834 0.349 . . . . 0.0 110.95 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' B' ' 80' ' ' GLN . . . 53.71 46.59 66.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.837 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.428 ' HB2' ' CD2' ' D' ' 12' ' ' LEU . 4.8 pt20 47.34 39.55 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.3 m -159.28 137.28 2.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.625 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.23 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.097 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 78' ' ' LEU . 53.6 mt -126.97 139.27 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.641 HD11 ' HE1' ' B' ' 73' ' ' PHE . 59.1 tp -136.44 142.55 43.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.736 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 74' ' ' ILE . 61.0 tp -157.41 144.27 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.888 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.677 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 10.3 p90 179.63 134.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.3 ptmt -97.08 170.4 9.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 111.356 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 52.2 m -148.36 136.12 20.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.457 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.539 ' N ' HG23 ' A' ' 70' ' ' THR . 12.3 tmm? . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 33.9 mmtp -157.14 135.53 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.4 p-10 -93.33 115.63 28.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.594 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 54.2 m -69.86 139.94 53.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.55 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.656 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -152.57 122.35 1.29 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.834 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.872 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.6 pp -161.47 138.54 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 111.98 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 22.2 pt20 -109.1 74.84 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.788 HG23 HD13 ' C' ' 6' ' ' ILE . 41.6 t -69.13 136.71 25.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.796 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.602 -0.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 58.6 ttp85 -65.8 131.29 45.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.028 0.442 . . . . 0.0 111.338 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -160.42 41.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.815 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 mt -82.78 40.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.511 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' C' ' 13' ' ' ASP . 9.8 t70 -83.88 57.61 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.004 0.431 . . . . 0.0 110.391 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.04 -135.25 29.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.325 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' C' ' 15' ' ' LYS . 1.7 tpmt? -73.97 58.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t 61.81 141.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.984 0.421 . . . . 0.0 111.304 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -174.56 -45.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.733 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.858 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.749 0.309 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.789 ' HG2' HG23 ' B' ' 67' ' ' THR . 0.0 OUTLIER -170.21 131.59 0.99 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.397 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.665 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.3 p-10 -164.42 111.59 1.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.596 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.556 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.5 t -74.76 144.02 43.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.288 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.633 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -144.82 129.66 3.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.099 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.851 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.4 pp -160.84 143.41 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.296 0.569 . . . . 0.0 112.254 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.487 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 17.9 tt0 -122.61 116.31 23.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.465 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.74 143.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.966 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 7.5 t0 -173.46 102.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.633 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 179.6 135.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' D' ' 13' ' ' ASP . 1.5 m-20 -85.94 43.94 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.416 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.546 HD12 ' N ' ' D' ' 12' ' ' LEU . 4.5 mp 67.49 -34.7 0.24 Allowed 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.162 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' D' ' 11' ' ' ASP . 28.5 m-20 62.44 132.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.96 0.41 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.86 -141.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.707 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -68.95 -42.8 76.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 53.0 m -56.29 129.56 40.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -63.5 138.84 58.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 18' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' D' ' 18' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.479 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.75 0.31 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.7 m -153.92 134.21 13.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.744 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.11 133.88 56.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.697 ' HD2' ' O ' ' A' ' 4' ' ' ARG . 4.0 ppt_? -58.45 142.89 47.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.172 0.51 . . . . 0.0 111.406 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -66.22 -128.75 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.849 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.053 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . 65.54 124.57 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.73 0.3 . . . . 0.0 111.38 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.1 m -104.25 136.85 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.969 0.414 . . . . 0.0 111.775 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -85.28 140.58 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.851 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -124.92 -33.86 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.402 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -138.66 58.85 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 111.326 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.11 140.42 38.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -175.53 59.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.424 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.0 ttm -177.47 157.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.692 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -46.32 140.99 3.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -53.5 -45.14 69.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.862 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 12.5 pt-20 -62.95 -40.71 98.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.544 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtt -65.07 -46.05 82.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.741 0.305 . . . . 0.0 111.308 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.745 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.0 pt20 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.539 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 18.6 pt20 -70.19 -38.72 75.41 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.342 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.57 -39.83 95.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.5 m -66.08 -45.01 82.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 0.0 110.165 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.991 HG22 ' CE2' ' A' ' 76' ' ' PHE . 47.0 t -63.04 -45.83 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.533 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -66.42 -45.56 79.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.3 m -65.3 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.041 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.87 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.64 -40.41 73.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.227 0.537 . . . . 0.0 109.683 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.4 m -60.42 -48.4 81.93 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.293 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -59.71 -36.86 77.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.705 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.614 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -58.58 -41.64 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.962 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.772 ' CD2' HD11 ' A' ' 38' ' ' ILE . 51.3 mt -65.56 -45.96 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.997 0.427 . . . . 0.0 110.982 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.261 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -87.86 -38.33 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.961 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 2.6 m-85 -109.93 -46.86 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 111.666 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 t30 64.8 42.93 4.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.102 0.477 . . . . 0.0 110.606 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.573 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.3 mt -152.82 116.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.116 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 38' ' ' ILE . 54.4 mt-10 -43.95 -46.56 8.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.081 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -57.73 -53.82 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 59.6 m-20 -59.66 -40.27 87.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.935 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.772 HD11 ' CD2' ' A' ' 29' ' ' LEU . 72.5 mt -48.11 -52.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.127 0.489 . . . . 0.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.659 ' HB1' ' CB ' ' A' ' 56' ' ' CYS . . . -68.2 -30.57 69.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.214 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 -59.88 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.931 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.614 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -66.13 -46.97 75.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.87 HD11 ' HA ' ' A' ' 25' ' ' ALA . 54.0 mt -59.49 -38.82 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 25.4 ttpp -60.23 -56.14 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.742 0.306 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.76 -42.16 99.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.83 -49.09 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CE1' HG23 ' A' ' 42' ' ' ILE . 6.0 m-85 -68.22 -42.18 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -58.86 -38.13 78.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.027 0.442 . . . . 0.0 110.706 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.503 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -69.19 -46.8 66.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.392 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -80.68 -70.1 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.6 m-30 -71.64 -14.45 62.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.93 143.05 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.552 0 C-N-CA 122.852 0.461 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 55.7 Cg_endo -69.62 169.24 19.2 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.55 2.167 . . . . 0.0 113.061 -179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.662 ' OG1' HG21 ' B' ' 67' ' ' THR . 14.8 t -115.7 126.47 54.14 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.582 0.353 . . . . 0.0 111.053 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.627 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.2 m95 -95.52 133.06 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 112.39 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.592 ' CD2' HG13 ' B' ' 66' ' ' VAL . 20.9 m80 -101.38 126.76 48.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.802 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.787 ' C ' HD12 ' A' ' 57' ' ' ILE . 73.6 m -117.77 142.19 47.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.219 0.533 . . . . 0.0 111.784 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.787 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.8 mp -143.44 143.98 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.138 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 35' ' ' GLU . 46.8 t -157.18 134.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.06 0.457 . . . . 0.0 110.833 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.95 -135.41 2.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.531 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.606 ' O ' ' HB3' ' A' ' 61' ' ' ASN . 39.5 ptt180 -174.81 29.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.616 ' HA ' HG12 ' C' ' 8' ' ' VAL . 10.9 p-10 161.27 85.8 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.631 ' HE2' HG21 ' A' ' 57' ' ' ILE . 4.1 p90 -168.66 138.56 2.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.597 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.9 135.74 16.19 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.5 t -128.92 146.77 50.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.762 0.781 . . . . 0.0 112.861 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 24.3 t80 -153.07 123.4 7.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.937 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.591 HG12 ' N ' ' A' ' 67' ' ' THR . 47.1 t -158.03 165.52 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.509 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 66' ' ' VAL . 92.1 m -110.38 151.83 26.99 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.45 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 27.4 p80 -164.22 148.09 9.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.132 0.491 . . . . 0.0 112.22 -178.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.16 144.0 57.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.803 HG23 ' N ' ' C' ' 1' ' ' MET . 58.2 p -55.84 148.98 15.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.685 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 62.79 37.59 12.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.796 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' HB3' ' HG3' ' A' ' 87' ' ' LYS . 66.0 m80 -156.13 49.87 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.938 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.767 ' HE1' HD11 ' A' ' 84' ' ' LEU . 29.3 t80 -144.96 143.14 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.988 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.755 ' O ' HD12 ' A' ' 84' ' ' LEU . 12.2 tt -161.19 139.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.323 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' OH ' HG22 ' C' ' 8' ' ' VAL . 41.0 t80 -143.28 134.43 25.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.65 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.991 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -167.71 138.14 2.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.848 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 7.0 m-85 -85.69 145.05 27.47 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.914 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.053 HD22 ' HB2' ' A' ' 6' ' ' ALA . 52.9 tp -170.19 145.37 2.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.55 39.74 75.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 54.18 38.27 28.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 110.809 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 78' ' ' LEU . 27.7 m -156.93 131.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.13 132.27 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.437 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.3 mt -116.82 131.81 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.767 HD11 ' HE1' ' A' ' 73' ' ' PHE . 55.7 tp -137.83 143.63 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.6 HD13 ' SG ' ' A' ' 56' ' ' CYS . 56.6 tp -154.9 143.47 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.58 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.2 p90 -179.89 130.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -100.09 170.62 8.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.204 0.526 . . . . 0.0 111.82 -178.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.0 t -139.51 137.36 35.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.04 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.488 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtm . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.765 0.317 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.3 p -178.25 45.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.6 133.17 55.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' B' ' 5' ' ' LYS . 2.2 tmt_? -177.03 128.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.193 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.602 ' N ' ' HD3' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -165.34 -135.52 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.39 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.587 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 73.29 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.071 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -93.08 136.74 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 120.916 0.389 . . . . 0.0 111.669 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' B' ' 11' ' ' ALA . 8.5 tp -82.4 143.35 12.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.1 mmmt -112.3 -40.43 4.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -123.18 -51.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' B' ' 8' ' ' ILE . . . 63.34 129.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.704 0.288 . . . . 0.0 110.666 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -178.94 64.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.042 0.448 . . . . 0.0 110.594 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.412 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 50.3 ttm -177.21 153.48 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.616 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.4 m -42.73 140.5 1.3 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 111.637 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 95.0 mt-10 -50.2 -49.42 52.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.867 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 24.6 pt-20 -58.2 -43.58 87.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.534 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.419 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 60.7 mtt -65.09 -45.74 83.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.172 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.86 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.9 pt20 -66.73 -38.87 87.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.383 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 14.4 pt20 -72.6 -37.28 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.286 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.3 t70 -70.11 -35.61 74.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -45.03 75.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.86 HG23 ' O ' ' B' ' 18' ' ' GLN . 60.2 t -63.68 -46.71 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.322 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.59 -42.77 86.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.079 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -62.51 -34.07 76.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.901 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 1.04 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -69.88 -38.54 76.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.182 0.515 . . . . 0.0 109.948 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -62.53 -47.17 85.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.405 ' HB3' ' NZ ' ' B' ' 31' ' ' LYS . 84.7 mt-30 -59.74 -40.11 87.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.284 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' B' ' 41' ' ' HIS . . . -58.01 -46.25 85.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.766 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 1.025 HD21 HD11 ' B' ' 38' ' ' ILE . 46.3 mt -58.24 -42.81 87.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 110.574 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.497 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 62.6 mttp -81.16 -46.82 14.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.68 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.424 ' CD2' ' OD2' ' B' ' 37' ' ' ASP . 84.2 m-85 -120.79 -39.72 2.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.655 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 29' ' ' LEU . 49.5 t30 67.74 47.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.486 . . . . 0.0 110.023 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.455 ' O ' HG13 ' B' ' 38' ' ' ILE . 61.6 mt -143.67 133.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.606 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.685 ' CD ' HG12 ' B' ' 58' ' ' VAL . 3.4 mm-40 -46.39 -51.02 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.45 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -57.07 -56.55 20.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.657 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.424 ' OD2' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -52.82 -43.21 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.31 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 1.025 HD11 HD21 ' B' ' 29' ' ' LEU . 82.0 mt -48.19 -43.36 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.962 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 65' ' ' TYR . . . -63.07 -34.08 76.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.242 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.95 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.497 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 60.5 m-70 -64.49 -58.48 6.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.09 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 1.04 HD11 ' HB2' ' B' ' 25' ' ' ALA . 60.2 mt -64.61 -43.86 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.46 ' C ' ' HD3' ' B' ' 43' ' ' LYS . 1.1 tmtp? -64.04 -56.64 13.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.21 -51.31 69.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.2 mm-40 -55.08 -47.05 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.34 . . . . 0.0 111.585 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.6 m-85 -73.31 -41.22 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 0.8 OUTLIER -59.97 -39.36 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -70.51 -43.89 68.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -82.29 -66.55 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.9 m-30 -73.42 -16.05 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 60.8 m-20 92.32 140.87 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 122.813 0.445 . . . . 0.0 110.709 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.43 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 39.4 Cg_endo -66.67 171.08 11.36 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.555 2.17 . . . . 0.0 112.825 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.43 ' HA ' ' CB ' ' B' ' 52' ' ' PRO . 12.2 t -115.67 123.98 49.73 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.732 0.413 . . . . 0.0 110.915 0.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.661 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.1 m95 -91.6 126.82 36.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.494 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 28.5 m-70 -95.61 136.58 35.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.96 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.723 ' O ' HD13 ' B' ' 57' ' ' ILE . 50.0 t -142.38 142.63 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.51 0.671 . . . . 0.0 112.453 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.723 HD13 ' O ' ' B' ' 56' ' ' CYS . 34.3 mm -144.23 146.06 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.261 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.685 HG12 ' CD ' ' B' ' 35' ' ' GLU . 48.5 t -154.96 138.17 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.867 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.64 -141.17 4.84 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.76 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 76.3 mtp180 -154.21 27.3 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 36.4 t30 164.68 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 122.684 0.394 . . . . 0.0 110.116 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.494 ' CE2' ' CG2' ' B' ' 57' ' ' ILE . 3.3 p90 -156.18 130.75 8.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.133 0.492 . . . . 0.0 111.693 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -110.98 137.67 14.46 Favored Glycine 0 C--O 1.229 -0.2 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.63 ' HB3' HG23 ' A' ' 57' ' ' ILE . 78.1 p -163.39 167.84 21.16 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' D' ' 4' ' ' THR . 11.2 m-85 -130.86 145.78 52.1 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.132 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 21.6 t -158.28 161.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.837 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.662 HG21 ' OG1' ' A' ' 53' ' ' THR . 8.9 t -112.45 156.31 22.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.454 ' CE1' ' HE3' ' D' ' 2' ' ' LYS . 22.7 p80 -167.78 146.69 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -62.03 148.2 44.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.007 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.619 HG22 ' HD2' ' D' ' 2' ' ' LYS . 76.3 p -54.74 151.7 8.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.605 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.9 mmpt? 61.01 39.38 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.32 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.429 ' CE1' ' HD3' ' B' ' 87' ' ' LYS . 90.9 m-70 -157.47 69.59 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.583 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 42.1 t80 -163.77 138.32 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.514 HG22 ' O ' ' B' ' 85' ' ' LEU . 11.4 tt -161.19 138.2 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.0 111.668 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.563 ' O ' HD12 ' B' ' 8' ' ' ILE . 3.9 t80 -141.48 137.82 32.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.436 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.739 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.3 p90 -170.3 142.42 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.941 0.4 . . . . 0.0 112.024 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.486 ' CE2' ' HD2' ' D' ' 10' ' ' ARG . 42.7 m-85 -79.67 148.81 31.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.644 ' O ' HG22 ' B' ' 81' ' ' VAL . 40.2 tp -165.92 138.87 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.47 40.51 69.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.353 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 57.14 37.77 28.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.785 0.326 . . . . 0.0 110.928 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.644 HG22 ' O ' ' B' ' 78' ' ' LEU . 33.5 m -156.4 137.33 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.459 ' HB3' ' HE1' ' B' ' 62' ' ' PHE . . . -73.54 132.72 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.402 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.18 142.19 35.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.553 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.443 HD13 ' HD2' ' B' ' 75' ' ' TYR . 58.2 tp -138.87 137.33 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.147 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.9 HD22 HG21 ' B' ' 42' ' ' ILE . 50.8 tp -152.23 138.52 18.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -177.89 124.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.661 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.1 ptmm? -87.05 170.39 11.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.29 0.567 . . . . 0.0 112.337 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 48.2 m -154.58 131.11 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.632 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.508 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.803 ' N ' HG23 ' A' ' 70' ' ' THR . 66.8 mtm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.823 0.344 . . . . 0.0 111.356 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 65.4 mttp -157.3 137.62 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.185 0.517 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 46.0 p-10 -87.37 124.37 33.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.17 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 66' ' ' VAL . 24.1 m -76.14 148.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.276 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.57 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -158.68 127.61 1.89 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.397 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.949 HD13 HG23 ' C' ' 8' ' ' VAL . 2.7 pp -160.29 140.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.063 0.459 . . . . 0.0 111.348 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -103.93 83.94 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.641 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.949 HG23 HD13 ' C' ' 6' ' ' ILE . 58.6 t -78.44 141.25 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.795 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.648 -0.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.412 ' HG2' ' HB3' ' A' ' 61' ' ' ASN . 26.4 mmm180 61.85 45.11 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.67 45.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.37 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -87.02 44.94 1.21 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.719 0.295 . . . . 0.0 111.028 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -160.56 -43.77 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.017 0.436 . . . . 0.0 110.674 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.73 -119.25 0.55 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.257 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -153.83 -46.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.76 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -71.39 -48.03 52.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -68.65 -48.63 63.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.902 -179.808 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.431 ' HE1' ' HB ' ' A' ' 53' ' ' THR . 83.5 mtp . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.764 0.316 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.619 ' HD2' HG22 ' B' ' 70' ' ' THR . 28.1 mtpp -67.47 146.6 53.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.621 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.652 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 1.8 p30 -149.06 111.41 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.163 0.506 . . . . 0.0 111.769 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.487 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.7 t -74.64 148.55 40.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.627 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -149.9 129.28 2.94 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.843 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -160.24 138.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 0.0 111.775 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.485 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 10.1 pt20 -117.79 80.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.13 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.541 HG22 ' OH ' ' B' ' 75' ' ' TYR . 29.0 t -69.58 141.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.928 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 -177.05 54.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.486 ' HD2' ' CE2' ' B' ' 77' ' ' TYR . 55.1 mtp85 -61.31 134.11 56.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' D' ' 15' ' ' LYS . 12.1 p-10 -85.13 50.96 2.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.001 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 87.0 mt -76.94 53.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.735 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -173.97 41.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.396 . . . . 0.0 111.235 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.83 44.15 87.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.292 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' D' ' 15' ' ' LYS . 3.4 mmmp? 58.26 57.52 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 16' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' D' ' 17' ' ' HIS . 80.2 p -168.5 140.39 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.074 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 17' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' D' ' 16' ' ' SER . 90.1 m-70 69.52 -52.44 0.61 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.772 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.929 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 2' ' ' CYS . 26.1 ptm . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.745 0.307 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 1' ' ' MET . 26.9 p -178.12 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 63.23 131.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.517 ' HG3' HG21 ' A' ' 26' ' ' THR . 10.4 mpt_? 61.88 135.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 58.7 mttm -62.78 -124.43 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 70.08 123.52 0.03 OUTLIER 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.2 m -87.41 139.05 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.432 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -84.13 117.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.212 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -76.14 -46.03 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.573 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -159.7 107.22 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.724 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.48 148.22 27.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.511 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 9.8 t70 -165.87 59.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.6 ptp 179.38 -163.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -68.39 137.28 54.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.856 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -56.91 -43.83 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.67 -44.24 93.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.01 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.01 -43.58 86.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.947 0.403 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.709 ' O ' HG23 ' A' ' 22' ' ' VAL . 62.8 mt-30 -59.42 -45.77 90.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.98 -44.43 96.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.917 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.77 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -67.73 -44.01 78.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.171 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.709 HG22 ' CE2' ' A' ' 76' ' ' PHE . 59.8 t -65.8 -45.57 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.544 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.43 -41.59 84.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.218 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.66 -34.19 77.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.042 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.961 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.42 -40.5 73.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 109.787 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.517 HG21 ' HG3' ' A' ' 4' ' ' ARG . 94.6 m -57.38 -45.27 84.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.061 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.589 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 85.0 mt-30 -60.53 -44.56 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.476 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -50.46 -40.31 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.981 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.806 HD23 HD11 ' A' ' 38' ' ' ILE . 61.8 mt -65.33 -51.54 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.0 -29.28 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 11.5 mptt -82.04 -32.25 30.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.931 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -133.71 -43.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.008 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.539 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER 66.53 49.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 -179.569 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.582 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.2 mt -149.45 114.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.183 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' OE2' ' HA2' ' A' ' 59' ' ' GLY . 50.6 mt-10 -43.45 -49.25 7.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.764 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.482 ' HD3' ' HB3' ' D' ' 7' ' ' GLN . 33.8 ttpt -56.88 -56.94 15.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' OD2' HD12 ' A' ' 34' ' ' ILE . 59.5 m-20 -58.26 -43.73 88.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.056 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.806 HD11 HD23 ' A' ' 29' ' ' LEU . 85.1 mt -47.98 -53.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 111.383 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -64.63 -34.63 78.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -67.19 -60.32 2.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.571 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.507 -178.853 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.961 HD11 ' HA ' ' A' ' 25' ' ' ALA . 77.7 mt -58.56 -54.52 32.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HD3' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.83 -32.78 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.201 -179.466 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.664 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 59.0 mtpt -65.82 -47.1 76.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.492 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -61.3 -42.73 99.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.798 0.332 . . . . 0.0 110.969 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.451 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 10.0 m-85 -71.11 -42.41 69.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.664 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.2 p30 -64.4 -31.78 73.13 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -73.81 -40.46 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.134 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -82.68 -50.82 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.8 m-85 -88.37 -15.34 35.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 40.4 t30 94.13 134.32 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 122.849 0.459 . . . . 0.0 110.343 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 15.8 Cg_endo -56.83 167.59 2.93 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.723 2.282 . . . . 0.0 112.797 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.2 t -114.73 134.62 54.95 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.741 0.416 . . . . 0.0 111.012 0.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.585 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 32.0 m95 -101.16 128.97 47.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 112.451 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.469 ' CE1' HG23 ' A' ' 53' ' ' THR . 16.1 m-70 -104.06 136.87 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 38.6 t -144.12 152.43 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.418 HD11 HD11 ' B' ' 57' ' ' ILE . 58.6 mt -148.19 150.51 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.976 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -154.94 132.18 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.997 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.424 ' HA2' ' OE2' ' A' ' 35' ' ' GLU . . . -178.16 -133.03 1.8 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.315 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 8.3 ptm180 -176.36 41.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 41.4 t30 157.71 85.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.706 ' CZ ' HG21 ' C' ' 8' ' ' VAL . 18.4 p90 -172.72 139.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.314 0.578 . . . . 0.0 112.495 -178.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.506 ' O ' HG23 ' B' ' 57' ' ' ILE . . . -88.73 132.87 11.47 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.3 m -125.66 142.26 51.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.451 0.626 . . . . 0.0 112.605 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -149.0 121.79 8.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.845 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' C' ' 4' ' ' THR . 25.2 t -158.82 163.85 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.853 -177.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 44.1 p -95.63 165.39 12.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 10.9 p-80 -167.66 143.67 4.06 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.7 144.95 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.504 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 73.0 p -53.84 147.45 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.618 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 74.2 mmtt 61.29 36.61 17.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.472 ' CE1' ' CE ' ' A' ' 87' ' ' LYS . 83.0 m-70 -155.06 54.56 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.326 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.511 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.4 t80 -145.9 137.05 24.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.393 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.676 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.9 tt -160.45 141.2 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 121.071 0.462 . . . . 0.0 111.704 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.735 ' HD2' HD13 ' A' ' 84' ' ' LEU . 3.8 t80 -145.68 141.01 27.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.814 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.709 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -169.18 138.81 2.13 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.047 0.451 . . . . 0.0 112.148 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.19 154.25 20.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.356 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 6' ' ' ALA . 34.5 tp -154.97 131.03 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.015 0.436 . . . . 0.0 111.498 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 80' ' ' GLN . . . 65.5 -81.56 0.08 OUTLIER Glycine 0 CA--C 1.504 -0.627 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 79' ' ' GLY . 77.9 mt-30 -162.5 40.94 0.12 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.934 0.397 . . . . 0.0 110.114 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.38 133.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.194 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.66 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -76.38 137.77 40.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.463 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.7 mt -122.12 142.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.735 HD13 ' HD2' ' A' ' 75' ' ' TYR . 46.5 tp -143.49 139.35 29.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 74' ' ' ILE . 60.0 tp -152.26 141.57 21.5 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 68' ' ' HIS . 27.9 p90 -177.11 132.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.76 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.8 pttt -97.12 170.4 9.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 m -146.37 135.71 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.796 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.403 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.425 ' O ' ' HG2' ' B' ' 1' ' ' MET . 50.9 ttp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.971 0.415 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -177.54 133.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.025 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 62.27 126.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.404 ' CB ' HG12 ' B' ' 22' ' ' VAL . 37.2 mmt180 50.25 32.15 5.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.226 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.61 ' N ' ' HD3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER 49.9 -136.22 1.21 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.21 -179.778 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.688 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 59.27 129.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.769 0.319 . . . . 0.0 111.519 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.6 m -95.2 136.24 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 120.946 0.403 . . . . 0.0 111.384 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -88.5 130.27 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.402 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.433 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.4 mmmt -86.63 -37.81 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.026 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -172.19 72.0 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.288 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -55.3 148.49 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.184 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.5 t70 -165.09 62.75 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.936 0.398 . . . . 0.0 111.343 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.494 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 21.2 ptm -178.13 -169.56 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' B' ' 17' ' ' MET . 59.5 m -64.33 141.27 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -59.16 -43.31 92.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.298 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.46 -37.96 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.068 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.494 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 65.3 mtt -66.42 -49.52 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.743 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.785 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.2 pt20 -66.36 -40.42 89.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.695 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.8 -37.45 73.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.431 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -70.75 -33.56 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.276 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -68.76 -46.44 68.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.896 HG22 ' CZ ' ' B' ' 76' ' ' PHE . 60.5 t -60.7 -47.02 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.276 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.98 -46.56 77.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.111 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.33 -32.95 74.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.759 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.908 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -67.28 -37.86 84.13 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 109.671 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -62.34 -46.41 88.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -57.54 -44.63 85.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.513 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' B' ' 38' ' ' ILE . . . -56.37 -44.82 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.931 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 1.035 HD21 HD11 ' B' ' 38' ' ' ILE . 60.9 mt -58.12 -43.64 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.0 -31.2 71.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -80.36 -39.56 28.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.575 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 56.4 m-85 -127.71 -42.75 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' B' ' 33' ' ' ASN . 0.3 OUTLIER 70.23 50.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 -179.257 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.437 ' O ' HG13 ' B' ' 38' ' ' ILE . 50.1 mt -147.62 131.4 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.523 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.406 ' HA ' HG11 ' B' ' 58' ' ' VAL . 10.8 pt-20 -46.6 -46.89 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.879 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.98 -57.2 13.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 111.304 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.439 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -53.43 -43.02 67.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 1.035 HD11 HD21 ' B' ' 29' ' ' LEU . 75.2 mt -48.52 -40.6 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.98 77.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.096 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -49.78 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.544 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -63.85 -54.43 35.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.08 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' B' ' 25' ' ' ALA . 58.1 mt -58.55 -50.01 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.532 ' HD2' ' C ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -61.62 -55.25 32.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -57.91 -45.6 86.26 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -56.16 -47.11 78.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.578 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 38.0 m-85 -71.19 -45.04 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -31.89 66.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 0.0 110.76 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.54 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 4.3 tmtt? -76.58 -41.82 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.042 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -85.66 -57.48 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.1 m-85 -84.51 -21.24 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.9 m-20 93.6 142.48 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 122.644 0.378 . . . . 0.0 110.281 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 47.4 Cg_exo -56.21 168.83 1.78 Allowed 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.546 2.164 . . . . 0.0 113.123 -178.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.444 ' OG1' HG21 ' A' ' 67' ' ' THR . 15.2 t -118.51 120.08 36.45 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 111.34 0.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.613 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 22.4 m95 -94.26 135.92 35.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.927 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.494 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 20.8 m-70 -111.13 139.43 46.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.1 t -140.61 154.21 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.415 0.626 . . . . 0.0 112.599 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.571 HD12 HD23 ' B' ' 84' ' ' LEU . 53.6 mt -149.23 143.24 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.452 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.469 HG11 HD12 ' B' ' 38' ' ' ILE . 49.0 t -144.31 133.25 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 111.499 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' B' ' 60' ' ' ARG . . . 169.57 -135.12 3.43 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.879 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.999 ' HD2' HD23 ' D' ' 12' ' ' LEU . 52.3 ttm-85 175.04 46.94 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 110.925 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 38.7 t30 172.23 70.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.359 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 19.9 p90 -168.11 143.63 3.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.13 135.44 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.4 m -136.91 147.23 46.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 118.102 0.951 . . . . 0.0 113.268 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -146.06 128.6 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.397 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.591 HG12 ' N ' ' B' ' 67' ' ' THR . 32.8 t -156.38 168.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.157 -177.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.7 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.3 m -108.65 150.37 27.63 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.527 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.6 p80 -161.75 143.63 11.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.273 0.559 . . . . 0.0 112.29 -178.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.16 149.63 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.931 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.603 HG23 ' N ' ' D' ' 1' ' ' MET . 74.9 p -53.03 152.74 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.383 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.2 mmtp 62.2 40.35 11.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.345 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 92.6 m-70 -158.29 69.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.745 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.49 ' HB3' ' HB3' ' B' ' 12' ' ' ASP . 2.1 t80 -153.07 129.4 10.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.679 HD12 ' CB ' ' B' ' 18' ' ' GLN . 10.5 tt -158.99 145.58 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.357 0.599 . . . . 0.0 111.966 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.647 ' HD2' HD13 ' B' ' 84' ' ' LEU . 3.8 t80 -156.79 133.89 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.09 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.896 ' CZ ' HG22 ' B' ' 22' ' ' VAL . 8.5 p90 -165.39 140.0 4.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 112.183 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.972 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 46.9 m-85 -77.27 144.16 38.37 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.893 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' B' ' 6' ' ' ALA . 50.4 tp -170.19 140.69 1.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.87 39.82 79.16 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' B' ' 80' ' ' GLN . 0.4 OUTLIER 58.04 35.33 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.654 0.264 . . . . 0.0 111.118 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.471 HG13 ' O ' ' B' ' 80' ' ' GLN . 27.8 m -159.89 128.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.139 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.972 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -70.55 133.14 46.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.298 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.711 HD12 ' HE1' ' B' ' 76' ' ' PHE . 56.8 mt -110.4 138.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' B' ' 75' ' ' TYR . 58.4 tp -129.86 140.56 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.512 ' O ' HG22 ' B' ' 74' ' ' ILE . 61.2 tp -156.33 145.12 20.2 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 17.6 p90 178.05 129.16 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.613 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -99.9 170.44 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.159 0.504 . . . . 0.0 112.009 -178.689 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 88' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' B' ' 68' ' ' HIS . 25.4 m -145.83 137.79 25.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.896 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.64 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mmm . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -156.79 122.8 4.87 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.679 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.5 p30 -170.21 127.82 0.85 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.502 0.667 . . . . 0.0 112.406 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.627 HG21 HD21 ' A' ' 84' ' ' LEU . 28.7 m -71.82 142.37 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.306 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.566 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -151.29 123.61 1.54 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.849 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.902 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.8 pp -160.41 142.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.145 0.497 . . . . 0.0 112.092 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 18.6 pt20 -103.69 90.01 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.083 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.706 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 40.6 t -69.51 134.91 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 111.366 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.796 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.785 -0.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.794 ' NH2' HD22 ' C' ' 12' ' ' LEU . 28.5 mmm180 -64.59 133.58 52.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.513 ' H ' HD12 ' C' ' 12' ' ' LEU . 57.9 m-20 -159.55 35.16 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.175 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.794 HD22 ' NH2' ' C' ' 10' ' ' ARG . 4.7 mp -86.65 49.2 1.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.972 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -153.66 -43.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' C' ' 15' ' ' LYS . . . 64.52 35.36 91.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.328 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 15' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' C' ' 14' ' ' GLY . 36.6 mtmm -161.78 135.47 6.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 52.2 m -58.73 113.23 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.703 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 177.24 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.74 179.878 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.603 ' N ' HG23 ' B' ' 70' ' ' THR . 83.1 mtp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 120.703 0.287 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' B' ' 68' ' ' HIS . 65.0 mttp -157.48 138.34 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.109 0.48 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.7 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 42.1 p30 -84.67 126.72 33.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.058 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.55 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.8 t -71.35 148.09 47.37 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.328 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 5' ' ' GLY . . . . . 0.624 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -152.07 123.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.293 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.917 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -161.49 142.3 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 0.0 111.68 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.482 ' HB3' ' HD3' ' A' ' 36' ' ' LYS . 26.2 pt20 -116.23 131.3 56.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.746 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' B' ' 62' ' ' PHE . 81.9 t -131.15 137.55 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 34.8 t70 -165.15 116.42 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 10' ' ' ARG . . . . . 0.464 ' HA ' ' CD2' ' D' ' 17' ' ' HIS . 16.5 ptm180 -175.69 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.493 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' D' ' 13' ' ' ASP . 1.6 m-20 67.1 49.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.999 HD23 ' HD2' ' B' ' 60' ' ' ARG . 70.2 mt 70.71 -29.81 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' D' ' 11' ' ' ASP . 24.7 t70 62.86 145.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.03 -45.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.945 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -159.28 55.52 0.4 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.768 0.284 . . . . 0.0 111.446 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -172.64 -53.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.637 0.256 . . . . 0.0 111.628 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 17' ' ' HIS . . . . . 0.464 ' CD2' ' HA ' ' D' ' 10' ' ' ARG . 29.8 m80 -74.89 -45.22 44.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.188 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.821 -179.879 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.9 m -60.45 -44.2 96.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -59.1 132.76 55.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.787 ' HG3' HG21 ' A' ' 26' ' ' THR . 10.3 mpt_? 61.91 132.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 11.9 mptt -70.38 -117.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 67.13 122.76 0.02 OUTLIER 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.696 0.284 . . . . 0.0 111.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 19.6 m -100.1 138.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.615 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -92.58 129.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.323 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 74.8 mmtt -106.04 -33.39 7.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.297 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -150.68 136.24 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.861 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.08 138.28 16.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 111.574 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -145.86 57.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.098 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.451 ' HE1' ' HB3' ' A' ' 17' ' ' MET . 21.6 ptm -163.12 160.8 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.873 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -43.5 141.31 1.44 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.785 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.77 -45.09 74.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.578 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.29 -43.24 96.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.451 ' HB3' ' HE1' ' A' ' 13' ' ' MET . 85.3 mtp -61.28 -51.48 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.656 ' CB ' HD12 ' A' ' 74' ' ' ILE . 13.5 pt20 -60.49 -38.17 83.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -65.13 -44.34 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 110.182 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.49 -34.3 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.199 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.544 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -65.25 -44.0 89.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 109.856 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 18' ' ' GLN . 60.7 t -66.28 -43.53 91.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.451 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -65.45 -46.32 80.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 21' ' ' SER . 27.6 p -68.74 -31.01 69.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' CB ' HD11 ' A' ' 42' ' ' ILE . . . -68.01 -38.25 82.38 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.787 HG21 ' HG3' ' A' ' 4' ' ' ARG . 88.5 m -62.61 -46.56 87.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.368 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -57.16 -44.68 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.496 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -56.59 -45.18 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.986 HD21 HD11 ' A' ' 38' ' ' ILE . 54.7 mt -57.84 -43.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -67.52 -30.56 70.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.397 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HD2' ' CE1' ' A' ' 41' ' ' HIS . 99.5 mttt -79.7 -36.37 37.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.556 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 59.3 m-85 -132.91 -42.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 68.52 49.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 0.0 110.569 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 38' ' ' ILE . 43.7 mt -143.33 142.77 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.678 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.51 ' HG2' ' HA2' ' A' ' 59' ' ' GLY . 4.9 mp0 -49.55 -55.05 14.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.729 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -58.96 -53.13 61.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.398 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.427 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.3 m-20 -50.51 -44.22 56.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.678 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.986 HD11 HD21 ' A' ' 29' ' ' LEU . 75.4 mt -52.53 -41.84 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.75 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -64.03 -34.67 78.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.202 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.24 72.76 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.879 0.371 . . . . 0.0 111.395 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 76.5 m-70 -66.31 -55.92 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.566 HD11 ' CB ' ' A' ' 25' ' ' ALA . 60.3 mt -55.71 -51.13 62.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.066 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -59.65 -52.09 67.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.842 -178.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 68.0 mttm -63.78 -51.34 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 24' ' ' CYS . 93.6 mt-10 -52.13 -46.56 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.414 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.683 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 38.8 m-85 -75.41 -46.89 30.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.649 0.261 . . . . 0.0 111.343 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 5.5 t70 -52.54 -36.92 56.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 110.777 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -85.82 -42.0 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -75.25 -61.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.508 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.6 m-85 -84.1 -17.63 39.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.203 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.65 148.19 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.431 0.457 . . . . 0.0 109.821 -179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.3 167.88 5.58 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 121.917 1.745 . . . . 0.0 112.138 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.4 t -116.29 126.99 54.32 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.915 0.486 . . . . 0.0 110.605 0.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.683 ' CE2' ' HB3' ' A' ' 46' ' ' PHE . 23.5 m95 -105.4 134.45 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 20.7 m-70 -110.26 139.61 45.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.188 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.5 t -137.74 151.92 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 112.199 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.484 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 59.1 mt -149.53 145.49 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.032 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 82' ' ' ALA . 51.3 t -156.17 138.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.936 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA2' ' HG2' ' A' ' 35' ' ' GLU . . . 179.29 -137.39 3.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.459 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 55.5 ttp180 -174.42 39.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.787 0.327 . . . . 0.0 110.783 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.627 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 24.1 t-20 157.92 83.34 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.957 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 21.4 p90 -173.16 136.08 0.62 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.2 0.524 . . . . 0.0 112.354 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -86.88 135.28 13.11 Favored Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.349 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.451 ' HB2' HD11 ' C' ' 6' ' ' ILE . 28.6 m -129.3 144.16 51.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.346 0.573 . . . . 0.0 112.239 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 11.9 t80 -145.2 126.55 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.021 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.621 HG12 ' N ' ' A' ' 67' ' ' THR . 39.9 t -157.95 168.53 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.51 -177.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.2 m -118.95 151.49 38.08 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 26.5 p80 -167.13 143.48 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 11.9 pt-20 -65.06 150.79 47.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.792 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.72 HG23 ' N ' ' C' ' 1' ' ' MET . 72.6 p -53.9 149.95 8.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.587 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.729 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 68.8 36.57 2.62 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.415 -179.553 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.436 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 60.6 m80 -158.37 65.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.589 ' HE1' HD11 ' A' ' 84' ' ' LEU . 37.1 t80 -164.17 140.37 6.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.85 ' O ' HD12 ' A' ' 84' ' ' LEU . 10.1 tt -161.43 138.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.151 0.501 . . . . 0.0 111.617 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -142.01 137.97 31.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.93 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 8.8 p90 -166.16 139.78 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.061 0.458 . . . . 0.0 112.027 -179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.487 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 61.8 m-85 -80.32 146.13 31.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.556 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 6' ' ' ALA . 47.8 tp -170.16 143.89 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 111.35 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.97 41.45 92.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.336 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.569 ' HA ' HD22 ' C' ' 12' ' ' LEU . 70.3 mt-30 55.26 34.37 22.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.6 m -159.3 137.8 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.487 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -69.89 144.97 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 78' ' ' LEU . 59.1 mt -132.68 137.99 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 74' ' ' ILE . 63.0 tp -132.72 145.74 51.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.573 ' O ' HG22 ' A' ' 74' ' ' ILE . 60.6 tp -153.36 141.95 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.645 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 6.1 p90 179.46 130.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 54' ' ' TRP . 56.3 pttt -103.98 170.23 8.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.355 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.2 t 58.4 35.74 24.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.616 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.15 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.334 179.833 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.815 0.341 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' CYS . . . . . 0.418 ' HB2' HG21 ' B' ' 26' ' ' THR . 27.2 p -59.46 136.95 58.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' B' ' 4' ' ' ARG . 57.6 m-20 -158.05 44.8 0.32 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER 58.26 44.89 18.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -59.68 -38.36 81.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.646 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -47.52 130.14 13.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.927 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.5 m -94.79 136.69 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.018 0.437 . . . . 0.0 111.416 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.63 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -86.29 136.66 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.264 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -117.09 -51.29 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -96.17 -79.87 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.591 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . 58.2 131.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 112.157 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.44 ' OD2' ' HB3' ' B' ' 73' ' ' PHE . 12.4 p-10 -178.37 68.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.995 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.462 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 19.8 ptm -169.73 178.67 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.379 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.1 p -51.16 136.33 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -53.58 -40.92 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.928 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -60.44 -46.4 90.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.519 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.462 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 67.4 mtt -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.754 0.312 . . . . 0.0 111.236 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.843 ' O ' HG23 ' B' ' 22' ' ' VAL . 14.4 pt20 -65.23 -37.53 87.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.886 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -70.88 -39.95 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.19 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -71.53 -35.41 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.546 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.4 p -67.76 -41.6 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.293 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 18' ' ' GLN . 93.3 t -64.42 -47.84 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -68.73 -42.6 77.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.059 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.12 -33.18 75.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.945 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.784 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.99 -39.06 76.14 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.162 0.505 . . . . 0.0 109.942 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.506 ' HA ' HD21 ' B' ' 78' ' ' LEU . 87.6 m -61.06 -46.35 91.04 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.507 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.74 -39.67 89.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.001 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -56.26 -45.65 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.22 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.819 ' CD2' HD11 ' B' ' 38' ' ' ILE . 52.3 mt -63.39 -47.11 83.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.71 -30.57 70.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.494 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -87.59 -36.07 17.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.51 -43.69 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 65.16 39.42 5.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 110.41 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.558 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.7 mt -152.41 128.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.486 ' HA ' HD12 ' B' ' 38' ' ' ILE . 24.1 pt-20 -49.48 -48.15 48.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.296 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 35' ' ' GLU . 17.3 ttpp -59.31 -56.21 24.96 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -52.86 -41.99 64.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.819 HD11 ' CD2' ' B' ' 29' ' ' LEU . 85.6 mt -51.42 -52.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.033 0.444 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -66.88 -30.33 70.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.591 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.472 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -66.36 -62.76 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -66.1 -43.1 88.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.879 -178.463 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.784 HD11 ' HA ' ' B' ' 25' ' ' ALA . 79.9 mt -60.99 -44.52 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 59.5 tttm -63.34 -53.55 50.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.702 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -58.66 -32.8 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.268 . . . . 0.0 111.459 -179.232 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' B' ' 44' ' ' LYS . 5.5 tp10 -66.99 -49.08 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.59 -39.1 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 17.6 m-20 -58.96 -41.44 87.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.048 0.451 . . . . 0.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -72.32 -42.22 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.665 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.45 -63.3 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.556 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.3 m-85 -82.03 -12.72 58.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.1 m120 91.01 140.61 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 122.752 0.421 . . . . 0.0 110.479 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 41.8 Cg_endo -66.93 171.68 10.81 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.543 2.162 . . . . 0.0 112.963 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 53' ' ' THR . 11.1 t -116.7 117.27 29.34 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 122.777 0.431 . . . . 0.0 111.213 0.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.682 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.6 m95 -88.02 119.85 28.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.914 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 29.0 m-70 -91.85 139.25 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.411 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 47.9 t -140.39 148.64 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.391 0.615 . . . . 0.0 112.557 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' B' ' 62' ' ' PHE . 52.8 mt -149.67 144.53 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.684 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.401 HG13 ' O ' ' B' ' 82' ' ' ALA . 60.6 t -152.54 139.71 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 111.371 -179.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.86 -128.72 1.46 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.3 ptt180 -176.96 39.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.269 . . . . 0.0 111.426 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 41.1 t30 163.53 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.714 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' B' ' 57' ' ' ILE . 2.4 p90 -162.85 132.45 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -98.74 142.46 16.09 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 177.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -159.7 152.83 21.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.124 0.962 . . . . 0.0 113.279 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.75 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 3.7 t80 -133.88 135.0 43.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.759 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.56 HG12 ' N ' ' B' ' 67' ' ' THR . 33.0 t -156.69 165.47 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.56 ' N ' HG12 ' B' ' 66' ' ' VAL . 59.2 m -112.17 155.43 23.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.461 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.4 p80 -165.56 147.72 7.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.262 0.553 . . . . 0.0 112.49 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.447 ' HA ' ' N ' ' D' ' 1' ' ' MET . 5.4 tp10 -59.28 139.89 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.771 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -56.21 150.6 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.458 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.618 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 61.41 38.11 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -158.34 69.01 0.49 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.555 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.874 ' CE1' HD11 ' B' ' 84' ' ' LEU . 48.1 t80 -162.51 140.25 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.117 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.735 HD12 ' CB ' ' B' ' 18' ' ' GLN . 10.9 tt -157.2 137.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.337 0.589 . . . . 0.0 111.975 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -135.52 137.8 42.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.374 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 8.6 p90 -167.47 141.37 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.436 -0.505 . . . . 0.0 112.155 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 56.5 m-85 -77.31 149.9 35.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.245 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' B' ' 6' ' ' ALA . 41.0 tp -167.37 138.68 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 111.331 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLY . . . . . 0.422 ' HA3' HD13 ' B' ' 29' ' ' LEU . . . 53.93 39.95 63.96 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.37 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 81' ' ' VAL . 99.0 mm-40 58.41 37.89 25.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.852 0.358 . . . . 0.0 111.057 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 78' ' ' LEU . 31.3 m -158.72 136.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.722 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.401 ' O ' HG13 ' B' ' 58' ' ' VAL . . . -69.83 137.45 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' B' ' 78' ' ' LEU . 51.3 mt -127.12 140.24 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.874 HD11 ' CE1' ' B' ' 73' ' ' PHE . 57.9 tp -137.47 141.82 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.991 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 52.7 tp -156.12 142.22 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.708 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.529 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.6 p90 -177.28 127.17 0.15 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.045 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -87.34 159.53 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.332 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.4 m -144.53 138.43 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.526 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.72 ' N ' HG23 ' A' ' 70' ' ' THR . 22.4 ptp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.682 0.277 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -153.16 136.03 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 111.263 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ASP . . . . . 0.687 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 40.5 p30 -70.3 127.8 34.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.875 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' THR . . . . . 0.52 HG22 ' HB ' ' A' ' 66' ' ' VAL . 11.6 t -75.55 135.95 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.085 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' GLY . . . . . 0.561 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -135.43 117.75 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.259 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.599 HD12 ' C ' ' C' ' 6' ' ' ILE . 2.5 pp -161.9 170.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' GLN . . . . . 0.414 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 3.0 pm0 -163.17 120.94 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 110.925 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' ' 60' ' ' ARG . 40.6 t -81.74 146.63 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' ASP . . . . . 0.799 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.022 -0.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ARG . . . . . 0.6 ' O ' ' HD3' ' C' ' 10' ' ' ARG . 0.0 OUTLIER -171.85 139.68 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.115 0.483 . . . . 0.0 111.525 . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' A' ' 60' ' ' ARG . 1.5 m-20 -91.51 44.69 1.19 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.173 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.624 HD12 ' N ' ' C' ' 12' ' ' LEU . 4.1 mp 56.2 13.25 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.59 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 49.67 40.37 19.66 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.53 -60.44 0.65 Allowed Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.704 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 24.4 pttm 178.75 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.696 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 53.2 m -63.26 139.89 58.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.978 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 m170 64.39 -137.26 0.28 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.996 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.447 ' N ' ' HA ' ' B' ' 69' ' ' GLU . 49.7 ttm . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -155.68 133.46 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.153 0.501 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' B' ' 65' ' ' TYR . 42.8 m-20 -90.83 118.9 30.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.576 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 4' ' ' THR . . . . . 0.554 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.6 t -80.5 141.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.05 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.9 135.39 7.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.42 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -156.01 170.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 111.544 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' GLN . . . . . 0.522 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.9 pt20 -159.95 69.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.67 142.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.8 t70 -172.97 43.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.696 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -92.25 -45.67 8.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.254 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' D' ' 13' ' ' ASP . 56.6 m-20 60.13 41.83 16.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.98 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.621 HD12 ' N ' ' D' ' 12' ' ' LEU . 4.2 mp 66.44 -12.11 0.21 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.571 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' D' ' 11' ' ' ASP . 15.1 m-20 60.45 -154.99 0.36 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.61 -147.99 0.61 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' D' ' 15' ' ' LYS . 0.0 OUTLIER -63.13 -43.45 98.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 16' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' D' ' 15' ' ' LYS . 52.7 m -66.59 136.23 55.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.037 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -78.59 51.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.274 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 56.0 tttp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.207 179.822 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.567 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.623 0.249 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -96.07 136.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 121.126 0.489 . . . . 0.0 111.93 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.665 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -95.66 146.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.675 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -137.33 -44.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.517 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.3 m120 -110.15 49.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.754 0.312 . . . . 0.0 111.305 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.634 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -57.87 124.99 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -161.55 52.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 ttm -170.01 157.52 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.3 m -43.1 140.82 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.48 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.5 mt-10 -52.88 -48.87 66.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.682 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.38 -43.08 88.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.23 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 66.5 mtt -60.8 -51.27 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.039 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.875 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.0 pt20 -62.37 -39.08 92.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.07 -41.0 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.54 -36.88 81.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.682 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.8 t -67.79 -44.22 77.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.006 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 18' ' ' GLN . 54.2 t -62.53 -47.49 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.86 -43.67 78.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.984 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.64 -32.32 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.386 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.744 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -68.73 -38.57 80.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.72 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -59.68 -47.73 84.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.93 -39.72 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.872 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.818 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -55.64 -45.42 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.128 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 38' ' ' ILE . 50.6 mt -61.67 -48.95 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.54 -32.74 74.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.466 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.69 -33.76 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.2 m-85 -123.98 -46.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.647 ' O ' HD13 ' A' ' 34' ' ' ILE . 49.8 t30 65.06 43.6 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.383 . . . . 0.0 110.626 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 33' ' ' ASN . 40.6 mm -148.07 131.0 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 24.2 pt-20 -52.66 -49.11 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.117 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 17.0 ttpp -66.26 -54.67 22.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.99 -48.23 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.44 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 29' ' ' LEU . 72.1 mt -53.67 -48.98 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.025 0.44 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -64.49 -32.1 73.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.32 14.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -62.83 -49.05 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -178.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.744 HD11 ' HA ' ' A' ' 25' ' ' ALA . 60.0 mt -60.88 -42.87 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.638 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -56.84 -52.32 65.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.905 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.87 -45.34 90.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' OE1' ' CE1' ' A' ' 41' ' ' HIS . 57.4 mt-10 -56.47 -48.07 77.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -65.45 -39.49 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' OD1' ' HD2' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -62.69 -38.57 90.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.995 0.426 . . . . 0.0 110.843 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.2 tmtt? -70.7 -40.0 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -82.78 -55.94 4.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -87.59 -18.28 30.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 42.8 t30 96.63 138.26 0.03 OUTLIER Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 123.381 0.425 . . . . 0.0 110.277 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 41.1 Cg_exo -56.72 166.59 3.62 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.797 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -120.42 123.46 43.08 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.829 0.452 . . . . 0.0 110.995 0.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 20.8 m95 -94.59 133.51 38.15 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.179 0.514 . . . . 0.0 111.955 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.49 ' ND1' HG13 ' B' ' 66' ' ' VAL . 21.2 m-70 -106.82 133.92 50.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.797 ' C ' HD12 ' A' ' 57' ' ' ILE . 48.3 t -135.25 139.57 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.444 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.83 HD13 HD23 ' A' ' 84' ' ' LEU . 2.6 mp -139.92 143.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.38 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -151.51 139.21 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.474 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.97 -131.28 2.0 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.167 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.4 ptt180 -178.35 37.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 111.367 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 170.62 79.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.205 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.622 ' CE2' HG21 ' A' ' 57' ' ' ILE . 3.4 p90 -168.28 133.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -96.71 143.43 16.73 Favored Glycine 0 N--CA 1.452 -0.243 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.587 ' HB3' HD13 ' B' ' 57' ' ' ILE . 21.6 m -160.61 154.44 22.62 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.403 ' HB3' ' HD2' ' B' ' 43' ' ' LYS . 6.9 m-85 -136.52 137.18 40.03 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 114.127 -1.397 . . . . 0.0 109.375 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.538 ' HB ' HG22 ' C' ' 4' ' ' THR . 7.1 t -155.78 159.12 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.589 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 86.1 m -108.85 155.15 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 22.5 p80 -167.63 146.54 4.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.314 0.578 . . . . 0.0 112.311 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.09 154.93 21.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.492 HG23 ' N ' ' C' ' 1' ' ' MET . 76.4 p -56.77 145.74 28.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.792 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 6.9 mmpt? 64.84 14.31 9.12 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.691 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 46.0 m170 -122.43 58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.39 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.552 ' HE1' HD11 ' A' ' 84' ' ' LEU . 23.3 t80 -158.45 139.69 13.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 0.0 111.558 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.617 HD12 ' CB ' ' A' ' 18' ' ' GLN . 9.5 tt -159.85 139.53 3.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.372 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.719 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 3.8 t80 -144.19 138.56 28.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.654 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.828 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.4 p90 -167.99 138.94 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.964 0.411 . . . . 0.0 111.487 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.448 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 7.7 m-85 -80.12 145.37 32.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.74 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD13 ' HB2' ' A' ' 6' ' ' ALA . 60.1 tp -170.24 145.29 2.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.281 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.13 40.71 84.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.394 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 81' ' ' VAL . 13.9 mp0 54.24 36.29 24.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 80' ' ' GLN . 29.6 m -158.44 134.4 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.719 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.89 130.59 42.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -112.77 138.28 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.83 HD23 HD13 ' A' ' 57' ' ' ILE . 61.9 tp -134.22 139.12 45.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 74' ' ' ILE . 57.9 tp -154.97 136.75 14.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.496 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.2 p90 -175.15 127.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.392 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.3 pttt -95.56 170.37 9.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.152 0.501 . . . . 0.0 111.814 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.795 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.779 ' N ' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.753 0.311 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.2 m -95.31 136.28 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 111.681 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.878 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -81.65 148.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.254 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -137.73 -41.23 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.352 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.451 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 76.9 m-20 -126.34 52.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.878 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -58.17 137.01 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.321 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -178.71 62.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.5 ttm -175.81 158.97 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.727 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.1 m -44.69 140.76 2.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.481 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 50.4 mt-10 -51.53 -47.8 63.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.723 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.529 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.6 pt-20 -57.82 -44.51 86.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.561 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 61.2 mtt -63.98 -46.11 86.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.153 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.838 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.7 pt20 -66.76 -39.28 87.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.5 pt20 -72.9 -35.98 67.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.22 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.501 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.3 t0 -69.33 -37.04 77.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.556 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 59.7 m -67.72 -42.88 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.231 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.838 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.4 t -63.55 -47.2 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.655 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -68.34 -43.4 77.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.74 -34.96 78.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.894 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.881 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -71.02 -40.03 72.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.314 0.578 . . . . 0.0 109.538 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -58.86 -45.93 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.275 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.621 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 99.1 mm-40 -59.18 -48.02 83.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.608 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' B' ' 41' ' ' HIS . . . -46.95 -43.85 19.48 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.999 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.91 ' CD2' HD11 ' B' ' 38' ' ' ILE . 50.8 mt -65.16 -42.21 93.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.8 -37.32 85.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.775 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' B' ' 27' ' ' GLN . 44.3 pttt -86.56 -34.77 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.616 ' HD1' ' HG3' ' B' ' 31' ' ' LYS . 55.5 m-85 -118.26 -45.6 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.999 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 49.6 t30 65.57 43.53 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.904 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.516 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -147.97 121.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.62 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.4 OUTLIER -44.34 -44.85 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.06 -179.364 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.515 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.4 ttpm? -59.16 -56.13 26.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 111.226 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.47 ' HB3' ' NE2' ' B' ' 41' ' ' HIS . 55.3 m-20 -61.61 -39.48 91.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.721 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.91 HD11 ' CD2' ' B' ' 29' ' ' LEU . 95.9 mt -47.45 -49.14 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 111.225 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.591 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.43 89.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 0.0 111.623 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.612 ' CE1' ' CE1' ' B' ' 32' ' ' TYR . 5.4 m-70 -64.19 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.34 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.881 HD11 ' HA ' ' B' ' 25' ' ' ALA . 63.7 mt -59.01 -36.61 63.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.623 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.403 ' HD2' ' HB3' ' A' ' 65' ' ' TYR . 60.8 tttm -60.84 -59.46 5.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.81 -41.3 87.74 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 51.6 mm-40 -54.64 -48.46 72.24 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -72.69 -45.01 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -32.76 67.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 110.623 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.531 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -75.77 -46.11 32.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.1 -59.04 2.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.0 m-85 -84.51 -13.39 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 4.8 m120 88.83 141.21 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.388 0 C-N-CA 122.546 0.339 . . . . 0.0 110.134 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.452 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -60.01 172.67 2.2 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.428 2.086 . . . . 0.0 112.736 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.851 HG22 ' O ' ' B' ' 88' ' ' SER . 9.9 t -117.18 112.33 20.69 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 122.881 0.472 . . . . 0.0 111.301 0.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.726 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.4 m95 -88.58 122.88 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.033 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' B' ' 85' ' ' LEU . 32.4 m-70 -96.6 140.05 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.509 ' O ' HD13 ' B' ' 57' ' ' ILE . 42.2 t -136.69 144.23 43.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.472 0.653 . . . . 0.0 112.501 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.587 HD13 ' HB3' ' A' ' 64' ' ' SER . 31.3 mm -137.59 141.8 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.587 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.496 HG12 ' HB2' ' B' ' 35' ' ' GLU . 47.2 t -154.59 135.44 4.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.857 0.36 . . . . 0.0 111.457 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.57 -142.74 6.29 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.838 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 63.1 mtm-85 -160.48 28.7 0.16 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.543 0.211 . . . . 0.0 111.46 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 35.0 t30 167.33 82.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.523 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 28.3 p90 -165.51 136.88 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.59 137.4 14.07 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.8 m -137.42 148.88 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.719 0.759 . . . . 0.0 112.729 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 2.4 t80 -148.23 131.78 16.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.253 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.601 HG12 ' N ' ' B' ' 67' ' ' THR . 45.2 t -158.68 165.82 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.12 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.601 ' N ' HG12 ' B' ' 66' ' ' VAL . 93.1 m -116.39 150.35 37.9 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 25.5 p80 -166.06 142.37 5.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 112.038 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.36 154.56 35.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.791 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 42.5 p -57.77 152.68 15.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.794 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 43.9 mmtm 65.87 38.3 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.214 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 83.2 m-70 -164.82 69.55 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.05 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.533 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 1.9 t80 -165.45 125.35 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.396 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.683 ' O ' HD12 ' B' ' 84' ' ' LEU . 13.4 tt -150.81 141.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.2 0.524 . . . . 0.0 111.543 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.658 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 48.9 t80 -147.17 139.14 24.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.65 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' B' ' 22' ' ' VAL . 8.4 p90 -167.06 139.07 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.065 0.459 . . . . 0.0 111.756 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 8.1 m-85 -82.58 148.25 28.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.433 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.779 HD13 ' N ' ' B' ' 6' ' ' ALA . 57.2 tp -169.92 143.92 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.324 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.83 41.41 83.53 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.566 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' B' ' 80' ' ' GLN . 50.9 tt0 56.24 35.71 26.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.581 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.49 ' O ' HD12 ' B' ' 83' ' ' ILE . 29.0 m -158.01 132.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.658 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -76.58 137.56 39.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.49 HD12 ' O ' ' B' ' 81' ' ' VAL . 4.4 mp -125.09 140.64 47.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.648 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.683 HD12 ' O ' ' B' ' 74' ' ' ILE . 63.8 tp -132.32 144.36 50.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.672 HD22 HG21 ' B' ' 42' ' ' ILE . 56.7 tp -159.27 138.53 11.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.533 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.6 p90 -177.4 129.74 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.203 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.726 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.7 ptpt -78.98 162.65 25.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.4 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.851 ' O ' HG22 ' B' ' 53' ' ' THR . 51.0 m -143.51 134.38 25.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.94 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.527 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.492 ' N ' HG23 ' A' ' 70' ' ' THR . 66.6 mtm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -155.03 135.7 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.532 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -78.74 121.52 24.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.04 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 66' ' ' VAL . 14.5 t -72.41 142.79 48.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.105 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.65 135.11 7.51 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 pt -154.43 170.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 111.577 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.519 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 21.9 pt20 -163.52 69.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.168 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' A' ' 60' ' ' ARG . 58.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.462 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.513 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.0 p-10 . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.587 HG22 ' HB ' ' B' ' 66' ' ' VAL . 15.2 t -76.72 140.09 40.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.92 135.73 7.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.546 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.4 pt -156.1 170.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -159.14 74.97 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.577 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.0 t -69.28 144.7 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.9 p30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.807 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.875 0.369 . . . . 0.0 111.825 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.538 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -88.7 137.92 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.116 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.897 HG12 ' HB2' ' A' ' 11' ' ' ALA . 9.2 tp -84.17 141.65 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.594 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.757 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -117.17 -32.08 5.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.555 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -155.03 59.73 0.66 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.452 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.897 ' HB2' HG12 ' A' ' 8' ' ' ILE . . . -56.62 142.15 40.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.356 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -175.47 52.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.652 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.491 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 97.4 mtp -156.02 145.19 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.688 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -46.06 147.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.21 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.419 ' OE1' ' NE2' ' A' ' 18' ' ' GLN . 5.4 mm-40 -42.72 -39.5 2.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.46 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.51 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.5 pt-20 -69.48 -44.42 71.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.022 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.491 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 66.0 mtt -62.05 -47.82 83.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.423 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.808 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.9 pt20 -63.86 -38.53 91.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.532 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.51 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 19.0 pt20 -71.21 -40.78 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.676 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -37.45 83.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.828 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.491 ' OG ' HD23 ' A' ' 85' ' ' LEU . 47.6 t -67.92 -45.44 74.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.898 0.38 . . . . 0.0 110.264 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.9 t -65.51 -44.98 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.561 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.38 -34.05 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.885 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.08 -38.65 75.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 109.922 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.6 m -60.92 -45.13 95.88 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.18 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 85.9 mt-30 -59.37 -45.2 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.175 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -54.42 -42.77 70.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.206 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.863 ' CD2' HD11 ' A' ' 38' ' ' ILE . 48.6 mt -61.67 -48.1 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.609 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 10.5 pt-20 -67.42 -28.29 67.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.101 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.701 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.01 -21.16 27.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.701 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 25.9 m-85 -145.51 -45.64 0.21 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.543 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 32' ' ' TYR . 49.6 t30 68.99 45.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 38' ' ' ILE . 54.8 mt -137.16 126.01 35.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.625 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -45.06 -47.56 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.082 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -68.06 -52.84 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 111.253 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.447 ' HB3' ' NE2' ' A' ' 41' ' ' HIS . 1.3 m-20 -56.19 -41.91 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.39 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.863 HD11 ' CD2' ' A' ' 29' ' ' LEU . 93.4 mt -50.67 -44.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.98 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -64.03 -36.41 83.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.532 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -66.8 -46.17 76.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.675 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.583 ' HD2' ' HB1' ' A' ' 28' ' ' ALA . 7.8 m-70 -63.9 -54.01 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.156 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.885 HD11 ' HA ' ' A' ' 25' ' ' ALA . 60.6 mt -60.41 -46.51 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.108 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 12.5 tmtt? -56.42 -53.34 58.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.535 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.01 -46.27 91.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 41' ' ' HIS . 51.4 mt-10 -55.95 -46.0 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.683 0.277 . . . . 0.0 111.429 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.53 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 23.1 m-85 -73.42 -44.55 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -57.83 -35.75 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.241 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -82.95 -39.65 21.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 111.187 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -79.54 -64.33 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.5 m-85 -83.27 -18.65 38.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.7 m-20 93.62 143.73 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.398 0 C-N-CA 122.74 0.416 . . . . 0.0 110.125 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.438 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.5 Cg_endo -58.41 169.87 2.78 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.595 2.197 . . . . 0.0 112.867 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 53' ' ' THR . 14.1 t -115.18 117.41 30.45 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 122.526 0.33 . . . . 0.0 111.21 0.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.628 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 23.3 m95 -95.28 131.1 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.385 0.612 . . . . 0.0 111.95 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.459 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 31.6 m-70 -110.83 138.99 46.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.091 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 52.4 t -139.01 153.39 48.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.559 0.695 . . . . 0.0 112.639 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.418 HD12 HD23 ' A' ' 84' ' ' LEU . 58.9 mt -149.89 146.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.559 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -154.65 136.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.45 . . . . 0.0 111.112 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.36 -135.24 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -174.19 35.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.561 0.22 . . . . 0.0 111.356 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 165.46 81.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.818 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.466 ' CD2' ' CB ' ' B' ' 62' ' ' PHE . 18.4 p90 -166.18 139.05 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.21 146.48 18.21 Favored Glycine 0 C--N 1.33 0.215 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.403 ' OG ' HG12 ' B' ' 57' ' ' ILE . 39.5 t -159.68 154.26 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.721 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 17.0 m-85 -135.57 139.79 44.16 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 114.303 -1.317 . . . . 0.0 109.752 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.883 HG11 ' CZ ' ' A' ' 86' ' ' PHE . 21.7 t -157.73 159.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.019 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.507 HG23 ' O ' ' C' ' 1' ' ' MET . 92.7 m -119.47 144.51 46.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -160.95 145.55 13.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.389 . . . . 0.0 111.727 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.4 pt-20 -61.99 154.44 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.488 HG22 ' CE ' ' C' ' 2' ' ' LYS . 74.3 p -56.25 147.75 20.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.884 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 60.09 37.31 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.998 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 53.6 m80 -150.25 54.77 0.92 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.681 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 8.7 t80 -165.36 140.36 5.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.312 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.445 HG22 ' SD ' ' A' ' 13' ' ' MET . 12.0 tt -155.93 133.72 2.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.614 ' OH ' HG21 ' C' ' 8' ' ' VAL . 46.2 t80 -137.81 133.94 34.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.563 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.641 ' CZ ' HG22 ' A' ' 22' ' ' VAL . 7.4 p90 -165.62 143.99 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.814 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 62.6 m-85 -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.826 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 6' ' ' ALA . 27.3 tp -156.33 134.78 11.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.438 . . . . 0.0 111.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.457 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 67.15 -66.64 0.22 Allowed Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 39.1 tt0 178.9 37.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG12 ' NH2' ' A' ' 60' ' ' ARG . 32.5 m -160.41 137.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.995 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.814 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -72.26 136.43 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.06 135.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD21 ' HE2' ' A' ' 86' ' ' PHE . 55.5 tp -131.42 142.25 49.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 42' ' ' ILE . 56.6 tp -160.1 143.46 13.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.883 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 21.2 p90 -179.57 131.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.628 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -95.89 149.29 21.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.668 179.426 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.619 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.602 0.239 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' B' ' 77' ' ' TYR . 33.3 m -87.79 134.96 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.995 0.426 . . . . 0.0 111.519 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.694 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.7 mp -91.03 144.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -139.55 -42.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.516 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 4.5 m120 -115.62 51.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.557 ' HB1' ' OE1' ' B' ' 18' ' ' GLN . . . -64.73 132.53 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.654 0.264 . . . . 0.0 110.564 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 2.2 m-20 -153.0 53.08 0.76 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.415 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' B' ' 18' ' ' GLN . 20.5 ptp -176.54 -174.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.9 m -65.08 143.14 58.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.453 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -51.95 -40.68 61.22 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.532 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.7 pt-20 -59.51 -43.25 93.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.768 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 76.7 mtp -65.29 -42.88 92.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.752 ' O ' HG23 ' B' ' 22' ' ' VAL . 54.5 mt-30 -66.93 -44.21 81.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.532 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.4 pt20 -69.3 -33.83 73.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.2 t0 -66.5 -40.37 89.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.507 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -68.42 -41.99 79.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.908 0.385 . . . . 0.0 110.127 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' ' 18' ' ' GLN . 49.9 t -65.92 -45.45 91.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.73 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.517 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -67.87 -43.6 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.029 0.442 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.34 -39.88 88.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.35 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.786 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -67.79 -36.53 80.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.277 0.561 . . . . 0.0 109.548 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.0 m -59.87 -44.26 94.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.298 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -59.68 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.178 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.74 -40.73 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' B' ' 38' ' ' ILE . 64.1 mt -64.07 -49.6 71.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.28 -32.17 69.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.0 mttt -80.77 -25.13 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.613 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 44.8 m-85 -145.04 -43.98 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.438 -0.505 . . . . 0.0 112.258 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.658 ' O ' HD13 ' B' ' 34' ' ' ILE . 23.7 t-20 70.48 54.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.658 HD13 ' O ' ' B' ' 33' ' ' ASN . 41.6 mm -145.79 124.96 5.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' B' ' 36' ' ' LYS . 11.9 pt-20 -49.63 -47.46 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.593 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 36.7 ttpt -59.71 -58.63 7.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -53.0 -42.8 65.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.855 HD11 ' CD2' ' B' ' 29' ' ' LEU . 96.7 mt -51.71 -46.36 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.389 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.616 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -62.35 -41.21 98.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.812 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.721 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -62.94 -45.85 90.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.573 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 64.2 m-70 -66.68 -51.32 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.713 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.786 HD11 ' HA ' ' B' ' 25' ' ' ALA . 50.1 mt -64.79 -43.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 111.258 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.47 -57.89 10.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.762 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' B' ' 44' ' ' LYS . 10.5 mtmp? -58.08 -44.27 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 39.3 tt0 -57.29 -45.28 84.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -72.66 -39.31 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.32 . . . . 0.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -61.15 -40.41 93.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -72.17 -39.6 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.103 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 94.4 mttt -84.29 -70.19 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 7.7 m-30 -73.96 -21.14 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.9 t30 96.56 141.82 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.568 0 C-N-CA 122.672 0.389 . . . . 0.0 110.347 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.42 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 50.5 Cg_exo -56.52 171.28 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.411 2.074 . . . . 0.0 112.75 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.88 HG22 ' O ' ' B' ' 88' ' ' SER . 9.1 t -118.55 106.08 12.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.38 0.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.791 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.2 m95 -84.56 122.26 28.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.345 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.584 ' O ' HD12 ' B' ' 85' ' ' LEU . 30.5 m-70 -99.06 136.31 39.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.942 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.592 ' HB2' HD13 ' B' ' 85' ' ' LEU . 44.0 t -132.26 150.11 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 0.0 112.065 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' B' ' 62' ' ' PHE . 36.6 mt -147.92 142.0 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.224 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -149.02 132.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.97 -134.86 2.42 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 28.0 ttm180 -173.95 39.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.605 0.241 . . . . 0.0 111.028 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 166.37 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.5 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' B' ' 57' ' ' ILE . 32.4 p90 -173.24 132.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -83.63 135.35 13.7 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.1 m -128.32 141.41 51.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.49 0.645 . . . . 0.0 112.621 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.703 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 4.2 t80 -144.1 125.75 15.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.719 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.611 HG12 ' N ' ' B' ' 67' ' ' THR . 22.6 t -157.21 170.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.192 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.6 m -116.0 147.38 41.27 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.9 p80 -161.86 141.0 9.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.408 . . . . 0.0 111.629 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.408 ' OE2' ' CE1' ' B' ' 72' ' ' HIS . 12.6 pt-20 -66.44 154.75 39.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.243 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -57.23 150.57 17.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.9 mmpt? 65.9 34.73 7.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.408 ' CE1' ' OE2' ' B' ' 69' ' ' GLU . 62.5 m80 -158.71 69.29 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' B' ' 84' ' ' LEU . 32.5 t80 -169.6 137.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.839 ' O ' HD12 ' B' ' 84' ' ' LEU . 10.8 tt -156.42 142.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.212 0.53 . . . . 0.0 111.876 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.516 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 41.0 t80 -142.16 139.59 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.391 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.8 p90 -170.03 140.71 2.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 112.166 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.595 ' HB2' HG22 ' B' ' 7' ' ' VAL . 60.5 m-85 -80.59 149.64 29.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.317 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' B' ' 6' ' ' ALA . 53.1 tp -169.96 139.96 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.16 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.86 39.95 70.22 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 56.7 37.36 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.557 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.3 m -156.81 135.79 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.011 0.434 . . . . 0.0 110.853 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.447 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -72.74 135.91 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.581 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 55.2 mt -125.09 140.01 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.399 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.839 HD12 ' O ' ' B' ' 74' ' ' ILE . 57.3 tp -140.91 145.34 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' B' ' 54' ' ' TRP . 50.9 tp -158.49 143.17 16.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.062 0.458 . . . . 0.0 111.429 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.614 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 12.8 p90 -179.21 134.57 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.791 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -83.06 170.0 15.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.045 0.45 . . . . 0.0 111.604 -179.244 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.88 ' O ' HG22 ' B' ' 53' ' ' THR . 46.6 t -146.35 135.04 22.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.985 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.522 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.507 ' O ' HG23 ' A' ' 67' ' ' THR . 81.5 mtp . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.488 ' CE ' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -72.75 129.36 38.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.506 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.561 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -75.69 109.75 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.239 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.669 HG21 ' HE2' ' A' ' 73' ' ' PHE . 12.1 t -73.27 136.29 44.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.18 134.29 7.65 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.248 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 pt -151.1 170.05 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.955 0.407 . . . . 0.0 111.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.509 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.9 pt20 -160.03 69.79 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.809 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.614 HG21 ' OH ' ' A' ' 75' ' ' TYR . 47.3 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.824 0.345 . . . . 0.0 110.982 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.636 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.2 p-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.888 0.375 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.516 HG21 ' CE2' ' B' ' 86' ' ' PHE . 12.8 t -75.41 144.42 42.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.526 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -146.21 123.86 1.92 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.366 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.832 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.7 pp -160.37 145.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.31 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' D' ' 7' ' ' GLN . 22.4 pt20 -123.57 100.51 6.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.102 0.477 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 52.1 t -78.41 137.57 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.011 0.434 . . . . 0.0 110.861 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.509 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 8.5 m -85.63 137.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 112.007 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.655 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -80.53 136.96 22.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.454 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -115.72 -32.49 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -155.47 52.8 0.6 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.86 0.362 . . . . 0.0 111.463 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.655 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.71 146.52 20.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -167.61 71.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.407 . . . . 0.0 111.147 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.436 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 60.2 mtt -157.16 -166.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.3 p -88.31 38.52 0.86 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.2 mt-10 65.51 -58.83 0.29 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.99 -38.83 80.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.278 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 60.4 mtt -60.13 -51.46 69.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.3 pt20 -60.56 -39.76 89.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -64.33 -42.09 96.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.979 0.418 . . . . 0.0 110.244 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.407 ' OD1' ' CZ ' ' A' ' 46' ' ' PHE . 7.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.575 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.2 m -67.71 -43.99 78.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.086 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 18' ' ' GLN . 59.0 t -64.74 -46.68 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.372 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.0 -42.29 85.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.72 -37.95 87.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.865 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -67.11 -37.64 84.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.336 0.588 . . . . 0.0 109.429 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.2 m -60.38 -43.66 96.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.067 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HG2' ' CD ' ' A' ' 31' ' ' LYS . 51.9 tt0 -58.89 -45.97 88.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.117 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.576 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -54.17 -44.09 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.963 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.847 ' CD2' HD11 ' A' ' 38' ' ' ILE . 59.0 mt -60.51 -48.41 81.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.32 -33.51 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.312 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 57.3 mtpt -77.38 -31.76 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.42 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.545 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 4.2 m-85 -138.79 -49.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.951 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.854 ' C ' HD12 ' A' ' 34' ' ' ILE . 50.2 t30 78.57 45.37 0.06 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.415 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.854 HD12 ' C ' ' A' ' 33' ' ' ASN . 2.4 mp -135.59 130.07 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.122 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.18 -46.76 62.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.926 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -65.89 -53.91 33.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.846 0.355 . . . . 0.0 111.499 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.42 ' HB3' ' NE2' ' A' ' 41' ' ' HIS . 59.6 m-20 -54.58 -42.04 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.503 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.847 HD11 ' CD2' ' A' ' 29' ' ' LEU . 89.8 mt -52.46 -42.69 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.056 0.455 . . . . 0.0 110.481 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 56' ' ' CYS . . . -60.4 -38.93 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.253 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.12 -47.03 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.569 ' HD2' ' HB1' ' A' ' 28' ' ' ALA . 26.7 m-70 -60.9 -51.58 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 111.506 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 ' HA ' ' A' ' 25' ' ' ALA . 63.9 mt -60.88 -43.51 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' B' ' 65' ' ' TYR . 62.3 tttm -57.85 -51.63 68.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.6 -47.63 84.83 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -56.31 -47.85 77.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 111.533 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CZ ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-85 -71.42 -40.31 70.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.633 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 53.0 m-20 -57.89 -36.01 71.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.023 0.439 . . . . 0.0 110.579 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.77 -39.6 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.488 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -81.32 -61.22 2.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' HB3' ' A' ' 51' ' ' ASN . 5.3 m-85 -85.96 -21.25 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.543 ' HB3' ' O ' ' A' ' 50' ' ' TYR . 26.7 t-20 95.18 137.83 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.75 0.42 . . . . 0.0 110.217 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 47' ' ' ASP . 11.9 Cg_endo -54.95 169.71 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.632 2.221 . . . . 0.0 112.513 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.9 t -116.12 116.62 28.18 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 122.962 0.505 . . . . 0.0 111.219 0.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.739 ' CG ' ' HB3' ' A' ' 87' ' ' LYS . 22.0 m95 -93.13 129.96 38.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.685 ' O ' HD12 ' A' ' 85' ' ' LEU . 38.9 m-70 -98.16 135.93 39.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.235 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.686 ' SG ' HD13 ' A' ' 85' ' ' LEU . 78.7 m -123.98 147.82 47.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.297 0.57 . . . . 0.0 112.304 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.801 HG23 ' OG ' ' B' ' 64' ' ' SER . 57.9 mt -151.27 143.54 16.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.298 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -156.8 135.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.43 -137.07 2.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.692 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.676 ' HA ' HG11 ' C' ' 8' ' ' VAL . 7.3 ptm180 -179.01 41.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.191 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' C' ' 8' ' ' VAL . 9.4 m-20 162.12 82.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.064 0.545 . . . . 0.0 109.817 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 14.7 p90 -173.07 137.14 0.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.577 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -100.57 139.64 14.5 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.841 ' OG ' HG23 ' B' ' 57' ' ' ILE . 41.7 m -157.31 149.59 22.82 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.927 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 19.4 m-85 -124.61 140.56 52.82 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.14 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.817 HG11 ' CZ ' ' A' ' 86' ' ' PHE . 27.9 t -156.87 162.46 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 CA-C-O 120.527 0.203 . . . . 0.0 111.381 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.543 ' N ' HG12 ' A' ' 66' ' ' VAL . 85.4 m -115.83 155.89 27.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.431 ' ND1' ' HB2' ' A' ' 73' ' ' PHE . 23.7 p80 -166.95 140.35 3.7 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.819 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 25.0 pt-20 -64.28 150.26 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.626 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -56.78 150.96 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.425 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 34.6 mmtp 64.26 37.19 8.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.788 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 84.2 m-70 -164.43 54.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.709 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.576 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 34.7 t80 -152.61 141.33 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.953 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.802 ' O ' HD12 ' A' ' 84' ' ' LEU . 6.5 tt -165.01 145.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.312 0.577 . . . . 0.0 111.962 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.7 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.6 t80 -148.97 135.07 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.815 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.73 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -166.93 135.89 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.452 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 57.1 m-85 -74.54 143.7 44.38 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.552 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.881 HD23 ' N ' ' A' ' 79' ' ' GLY . 6.0 tt -169.25 142.42 2.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 110.989 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.881 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 56.52 41.07 88.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.431 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 81' ' ' VAL . 13.7 mp0 55.61 35.43 25.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 78' ' ' LEU . 29.5 m -158.33 135.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB3' HG21 ' C' ' 8' ' ' VAL . . . -69.78 135.57 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.268 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' A' ' 78' ' ' LEU . 58.4 mt -121.02 137.89 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 74' ' ' ILE . 50.9 tp -139.95 140.7 36.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.686 HD13 ' SG ' ' A' ' 56' ' ' CYS . 58.2 tp -154.22 145.48 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.817 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 11.7 p90 178.75 132.62 0.08 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.739 ' HB3' ' CG ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -102.28 170.35 8.13 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.557 ' HB3' ' HG2' ' A' ' 69' ' ' GLU . 35.7 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.07 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.779 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' B' ' 77' ' ' TYR . 29.3 m -99.94 138.88 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.736 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.641 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.2 155.27 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.838 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.426 ' N ' HG22 ' B' ' 8' ' ' ILE . 31.8 mmmt -142.28 -39.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -147.12 49.79 1.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.015 0.436 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.577 ' HB1' ' OE1' ' B' ' 18' ' ' GLN . . . -58.65 145.8 38.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.405 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 63.7 t0 -161.05 56.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 110.459 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.57 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 61.7 mtt -160.51 157.24 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.74 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.2 m -56.13 148.81 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.334 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.79 -41.37 4.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.818 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.88 -39.41 93.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.57 ' HB2' ' HB3' ' B' ' 13' ' ' MET . 67.4 mtt -67.44 -47.73 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.819 ' O ' HG23 ' B' ' 22' ' ' VAL . 42.4 mt-30 -64.93 -42.73 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.174 0.511 . . . . 0.0 110.137 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.59 -41.34 84.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.432 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 38.2 t70 -68.93 -36.53 78.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.414 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -68.03 -44.32 76.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.998 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.819 HG23 ' O ' ' B' ' 18' ' ' GLN . 60.5 t -64.65 -45.96 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.6 -43.3 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.44 -37.41 87.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.89 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -68.62 -40.1 80.5 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -60.47 -42.97 97.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.212 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 40.0 tt0 -59.46 -44.95 92.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.354 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' B' ' 41' ' ' HIS . . . -56.51 -42.37 78.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.805 HD23 HD11 ' B' ' 38' ' ' ILE . 54.1 mt -61.27 -48.83 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.497 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.36 -32.09 72.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.598 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.491 ' HB3' ' NZ ' ' B' ' 31' ' ' LYS . 9.5 mtpm? -81.64 -26.11 35.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.844 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.535 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 54.3 m-85 -145.32 -45.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.283 -0.567 . . . . 0.0 112.384 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.5 t30 69.16 51.54 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.961 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.536 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.5 mt -136.96 129.64 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.712 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -51.79 -52.03 51.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.172 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.36 -56.01 19.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 0.0 111.755 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.459 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.4 m-20 -53.6 -45.83 70.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.15 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.805 HD11 HD23 ' B' ' 29' ' ' LEU . 93.7 mt -49.58 -44.46 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.79 0.328 . . . . 0.0 111.419 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.29 81.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.484 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.927 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -64.37 -47.15 80.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.835 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 19.6 m-70 -62.81 -50.29 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.356 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' B' ' 25' ' ' ALA . 56.8 mt -68.22 -40.03 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.755 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.454 ' CD ' ' HB3' ' A' ' 65' ' ' TYR . 60.2 tttm -60.32 -58.48 8.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -68.72 -39.24 80.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.827 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.02 -53.64 47.17 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.485 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.5 m-85 -71.37 -44.03 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.9 t0 -54.56 -37.34 65.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.441 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -76.66 -49.65 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.788 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.405 ' HD3' ' NZ ' ' B' ' 48' ' ' LYS . 75.7 mmtt -74.39 -70.24 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.264 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.551 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.7 m-30 -68.14 -17.33 64.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.023 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 3.8 m120 94.24 146.4 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.441 0 C-N-CA 122.837 0.455 . . . . 0.0 110.417 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.42 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 29.0 Cg_endo -62.9 167.75 11.59 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.445 2.097 . . . . 0.0 112.52 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.553 HG22 ' O ' ' B' ' 88' ' ' SER . 9.8 t -112.86 133.21 54.95 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.776 0.43 . . . . 0.0 110.474 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 33.8 m95 -109.09 135.9 49.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.447 0.642 . . . . 0.0 112.627 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.501 ' HB2' ' CZ ' ' B' ' 86' ' ' PHE . 13.7 m-70 -115.43 137.37 52.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.604 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.8 t -136.81 154.34 50.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.46 0.648 . . . . 0.0 112.58 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.841 HG23 ' OG ' ' A' ' 64' ' ' SER . 54.3 mt -148.98 142.51 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.809 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -151.26 132.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 111.162 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.42 -131.48 2.14 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.284 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 38.6 ptt85 -177.02 37.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 14.1 t-20 177.39 76.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.559 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 10.1 p90 -162.89 138.5 6.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.524 0.678 . . . . 0.0 112.398 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -115.36 137.0 13.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.801 ' OG ' HG23 ' A' ' 57' ' ' ILE . 61.2 m -154.27 148.8 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.48 ' CE1' ' HD3' ' A' ' 43' ' ' LYS . 2.7 t80 -120.17 132.64 55.46 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.242 -1.345 . . . . 0.0 107.782 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' B' ' 86' ' ' PHE . 20.1 t -154.35 167.19 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.596 ' N ' HG12 ' B' ' 66' ' ' VAL . 91.1 m -124.04 143.79 50.23 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 p80 -159.39 146.43 16.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 112.122 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 16.7 tp10 -58.29 151.97 18.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.193 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 44.7 p -53.12 146.25 11.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.179 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' B' ' 71' ' ' LYS . 11.8 mptt 61.03 17.58 8.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.111 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.464 ' CE1' ' HE3' ' B' ' 87' ' ' LYS . 33.7 m170 -122.13 68.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 9.3 t80 179.41 146.43 0.2 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.935 0.397 . . . . 0.0 111.429 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.486 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 10.9 tt -162.48 133.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' D' ' 8' ' ' VAL . 37.2 t80 -130.02 132.22 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.575 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.616 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.1 p90 -166.57 134.67 2.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.448 ' HB2' HG22 ' B' ' 7' ' ' VAL . 60.9 m-85 -73.1 147.25 45.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.872 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' B' ' 6' ' ' ALA . 52.0 tp -170.44 140.4 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.32 41.74 80.63 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.577 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 54.78 36.54 26.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.485 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.8 m -157.37 133.51 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.788 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 125.62 27.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.508 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' B' ' 78' ' ' LEU . 54.2 mt -105.71 143.8 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.503 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 65.6 tp -143.63 143.27 31.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.912 0.387 . . . . 0.0 111.19 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' B' ' 42' ' ' ILE . 56.1 tp -157.11 141.47 16.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.296 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.601 ' CE2' HG11 ' B' ' 66' ' ' VAL . 8.7 p90 -173.63 129.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 56.1 pttt -100.87 170.46 8.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.099 0.476 . . . . 0.0 111.416 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.553 ' O ' HG22 ' B' ' 53' ' ' THR . 57.6 m -145.33 140.51 27.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.961 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.524 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.692 0.282 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -159.64 150.51 19.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.58 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 47.5 p-10 -74.15 124.03 25.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.562 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' VAL . 11.9 t -76.46 132.8 39.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.445 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.618 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -124.87 124.0 5.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.612 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.799 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.1 pp -161.94 155.36 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.577 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 27.3 pt20 -146.54 117.71 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.359 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 60' ' ' ARG . 40.2 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.895 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.448 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 38.3 p30 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.935 0.397 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.583 HG21 ' HE2' ' B' ' 73' ' ' PHE . 15.4 t -89.24 149.58 23.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.632 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -153.22 129.05 2.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.935 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.855 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.3 pp -160.49 143.84 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.164 0.507 . . . . 0.0 112.313 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.481 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.2 pt20 -119.96 84.87 2.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.553 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' B' ' 75' ' ' TYR . 47.2 t -69.41 143.55 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 34.9 t70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.702 0.287 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.9 m -82.23 136.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.143 0.497 . . . . 0.0 111.938 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.737 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -90.19 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.683 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -136.39 -43.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.57 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 4.1 m120 -123.44 46.29 2.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.77 0.319 . . . . 0.0 111.568 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.737 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -61.08 141.44 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.745 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -169.64 54.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.757 0.313 . . . . 0.0 111.606 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.432 ' HE3' ' N ' ' A' ' 73' ' ' PHE . 13.5 ptp -171.42 -175.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 111.223 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.7 m -55.27 151.21 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.403 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.478 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 8.7 mp0 -65.0 -43.98 90.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.314 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.57 -42.4 98.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.94 -51.15 71.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 111.182 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.1 pt20 -60.64 -39.86 89.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.28 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -67.25 -41.22 85.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.862 0.363 . . . . 0.0 110.804 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -64.78 -39.88 94.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.63 -44.55 81.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.87 0.367 . . . . 0.0 110.253 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' GLN . 60.5 t -64.6 -44.43 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.8 -46.43 78.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.529 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -65.91 -31.25 72.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.819 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.48 -39.88 73.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.176 0.513 . . . . 0.0 109.781 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.544 ' OG1' HD21 ' A' ' 78' ' ' LEU . 89.4 m -59.75 -49.58 77.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.378 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 71.8 mt-30 -57.93 -47.06 84.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.833 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -45.69 -43.42 12.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.745 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.798 HD23 HD11 ' A' ' 38' ' ' ILE . 53.4 mt -62.4 -46.9 86.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.119 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.025 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 60.5 mmtt -80.37 -36.71 33.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.579 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 45.4 m-85 -134.56 -40.71 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.616 ' O ' HD13 ' A' ' 34' ' ' ILE . 49.5 t30 67.69 46.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.993 0.425 . . . . 0.0 110.345 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 33' ' ' ASN . 47.3 mm -148.09 124.28 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.725 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -48.28 -44.98 34.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.907 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -62.43 -58.24 8.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.647 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.65 -47.02 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.73 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.833 HG23 ' CB ' ' A' ' 28' ' ' ALA . 66.7 mt -54.57 -52.07 44.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.14 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.916 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.97 -55.98 10.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.528 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.06 -48.7 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 -178.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.819 HD11 ' HA ' ' A' ' 25' ' ' ALA . 52.3 mt -58.04 -42.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.654 0.264 . . . . 0.0 111.105 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -60.22 -46.29 90.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.686 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 60.8 mttp -68.22 -48.59 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.9 mt-10 -56.19 -46.74 79.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.685 0.278 . . . . 0.0 111.634 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CE1' HG23 ' A' ' 42' ' ' ILE . 11.0 m-85 -66.75 -42.85 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.686 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.0 p30 -66.74 -29.96 70.06 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -75.55 -43.47 48.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.2 mtpt -78.59 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.7 m-85 -85.29 -15.22 44.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.385 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 94.07 139.84 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.551 0 O-C-N 123.46 0.475 . . . . 0.0 110.185 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 38.7 Cg_exo -60.36 166.97 8.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.464 2.109 . . . . 0.0 112.737 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.8 t -115.48 133.51 55.96 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.912 0.485 . . . . 0.0 110.881 0.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 32.0 m95 -102.75 132.33 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.5 m-70 -103.34 129.01 50.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.0 t -131.59 144.56 51.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.316 0.579 . . . . 0.0 112.151 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 62' ' ' PHE . 48.2 mt -150.53 138.84 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.005 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -149.8 136.56 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.181 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.73 -133.34 2.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.544 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 55.0 ttp180 -175.14 44.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 161.27 84.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 57' ' ' ILE . 2.8 p90 -170.03 137.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.59 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -111.66 134.36 12.05 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 177.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.707 ' HB3' HG23 ' B' ' 57' ' ' ILE . 62.9 p -155.6 153.54 30.28 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.706 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 22.5 m-85 -124.25 142.09 51.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.63 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' HG22 ' C' ' 4' ' ' THR . 20.3 t -157.63 162.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.2 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.519 ' N ' HG12 ' A' ' 66' ' ' VAL . 92.0 m -115.54 153.75 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 23.8 p80 -167.6 150.09 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.62 139.27 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.999 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.8 p -56.47 148.36 19.49 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.462 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 66.48 36.38 5.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -157.92 56.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.036 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.546 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 28.2 t80 -152.95 138.7 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.092 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.682 HD12 ' HB3' ' A' ' 18' ' ' GLN . 9.8 tt -161.73 142.13 3.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.219 0.533 . . . . 0.0 112.008 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.738 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.7 t80 -141.95 137.35 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.982 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 22' ' ' VAL . 8.6 p90 -166.54 141.46 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.473 . . . . 0.0 112.077 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 6.6 m-85 -86.93 152.95 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.826 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 6' ' ' ALA . 63.9 tp -160.86 138.38 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 0.0 111.861 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 67.32 -67.02 0.24 Allowed Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.976 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 39.2 tt0 179.82 36.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.8 m -159.79 135.9 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.652 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.39 130.24 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.482 HD12 ' HE1' ' A' ' 76' ' ' PHE . 56.3 mt -113.18 141.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.738 HD13 ' HD2' ' A' ' 75' ' ' TYR . 59.5 tp -138.1 141.32 40.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.479 ' O ' HG22 ' A' ' 74' ' ' ILE . 57.2 tp -158.46 135.29 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.546 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.5 p90 -173.59 127.73 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -96.38 170.41 9.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.185 0.517 . . . . 0.0 111.799 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.724 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.978 ' HB2' HD22 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.725 0.298 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 28.1 m -90.11 136.36 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.58 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.34 126.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -102.6 -34.59 9.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.5 ' OD1' ' HB3' ' B' ' 75' ' ' TYR . 19.4 p30 -165.95 55.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.045 0.45 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.4 ' HB2' HG23 ' B' ' 8' ' ' ILE . . . -61.43 147.79 43.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.63 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -158.27 70.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.181 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' B' ' 14' ' ' SER . 53.6 ttm -174.55 161.92 3.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.53 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' B' ' 13' ' ' MET . 57.9 m -45.31 140.14 3.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.459 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.1 mt-10 -49.56 -49.73 45.12 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.074 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.89 -41.35 99.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.41 ' HB2' ' HG2' ' B' ' 13' ' ' MET . 86.8 mtp -64.97 -47.98 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.832 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.5 pt20 -67.0 -39.43 87.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.342 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -67.83 -38.96 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.681 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -68.81 -36.78 78.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.9 t -67.48 -41.98 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.038 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.832 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.1 t -64.49 -48.86 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.498 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.0 -42.4 89.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.836 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.65 -33.91 73.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.547 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.762 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.78 -39.67 76.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.218 0.533 . . . . 0.0 109.907 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -59.49 -46.11 89.75 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.082 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.401 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 54.1 tt0 -60.89 -37.89 83.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.679 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -54.78 -47.79 73.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.853 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.869 ' CD2' HD11 ' B' ' 38' ' ' ILE . 62.8 mt -61.36 -46.54 89.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.63 -32.5 73.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.401 ' CD ' ' HG2' ' B' ' 27' ' ' GLN . 57.8 mtpt -83.97 -41.57 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.901 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.458 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 4.8 m-85 -119.23 -46.53 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.582 ' O ' HD13 ' B' ' 34' ' ' ILE . 22.1 t-20 68.0 46.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.582 HD13 ' O ' ' B' ' 33' ' ' ASN . 45.1 mm -150.41 127.02 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.69 -46.17 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.973 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.74 -57.56 8.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.961 0.41 . . . . 0.0 111.316 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 57.9 m-20 -53.15 -45.18 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.957 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.869 HD11 ' CD2' ' B' ' 29' ' ' LEU . 98.3 mt -48.64 -53.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -65.26 -24.49 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.99 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.706 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -68.57 -62.89 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.5 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.76 -46.29 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.482 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' B' ' 25' ' ' ALA . 75.4 mt -59.53 -45.68 93.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.529 ' NZ ' ' HB3' ' B' ' 43' ' ' LYS . 6.5 ttpm? -56.81 -49.6 74.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.059 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.22 -41.38 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.395 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -55.94 -52.72 63.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.112 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -71.01 -42.53 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.949 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' B' ' 52' ' ' PRO . 61.3 t0 -57.02 -40.87 77.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -79.07 -44.75 21.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.224 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.53 -63.21 1.29 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 2.7 m-85 -79.61 -14.64 58.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.256 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.24 145.42 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 122.785 0.434 . . . . 0.0 110.249 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.418 ' HB3' ' OD1' ' B' ' 47' ' ' ASP . 19.5 Cg_endo -62.44 169.84 7.59 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.192 1.928 . . . . 0.0 112.539 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.718 HG22 ' O ' ' B' ' 88' ' ' SER . 11.5 t -117.89 113.02 21.12 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.94 0.496 . . . . 0.0 110.983 0.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.69 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.2 m95 -89.85 125.59 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.354 0.597 . . . . 0.0 112.244 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.415 ' ND1' HG13 ' A' ' 66' ' ' VAL . 45.8 m-70 -101.23 132.12 46.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.828 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.427 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 42.7 t -128.02 150.04 50.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 112.068 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.707 HG23 ' HB3' ' A' ' 64' ' ' SER . 37.9 mt -147.25 142.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.056 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 51.3 t -156.03 136.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.47 -136.62 2.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 15.6 ptp180 -170.34 32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.598 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 162.86 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 22.5 p90 -169.86 139.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.67 136.93 13.43 Favored Glycine 0 C--N 1.329 0.156 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t -140.68 146.52 37.94 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' D' ' 4' ' ' THR . 12.0 m-85 -138.69 135.5 34.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.665 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.635 HG11 ' CE1' ' B' ' 86' ' ' PHE . 38.9 t -157.53 169.3 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.616 ' N ' HG12 ' B' ' 66' ' ' VAL . 91.8 m -121.11 144.88 48.33 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -160.96 143.52 12.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.006 0.432 . . . . 0.0 111.886 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.25 152.67 43.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 38.8 p -58.7 151.97 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.184 0.516 . . . . 0.0 111.795 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.479 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 44.2 mmtm 63.6 38.53 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.147 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.8 m-70 -164.74 69.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.962 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.709 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.4 t80 -173.58 140.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.743 ' O ' HD12 ' B' ' 84' ' ' LEU . 8.9 tt -160.4 143.91 4.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.921 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.633 ' OH ' HG22 ' D' ' 8' ' ' VAL . 44.5 t80 -141.66 140.39 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.394 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.635 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.2 p90 -165.75 141.02 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.06 0.457 . . . . 0.0 111.651 -178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -87.07 143.77 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.978 HD22 ' HB2' ' B' ' 6' ' ' ALA . 53.0 tp -169.82 145.23 2.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.493 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.53 40.99 88.34 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.414 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 53.86 35.72 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.718 0.294 . . . . 0.0 110.654 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.8 m -157.99 132.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.511 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.86 143.42 52.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.412 HD12 ' HE1' ' B' ' 76' ' ' PHE . 58.1 mt -131.03 134.53 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.606 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.743 HD12 ' O ' ' B' ' 74' ' ' ILE . 54.1 tp -136.78 146.83 46.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' B' ' 54' ' ' TRP . 57.8 tp -161.35 142.96 11.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.709 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 11.5 p90 -179.02 132.88 0.12 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.359 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.69 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -86.11 153.14 22.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 111.815 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.718 ' O ' HG22 ' B' ' 53' ' ' THR . 45.7 t -126.02 123.17 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.783 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.448 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.819 0.342 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 34.4 mmtp -70.89 132.91 45.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.517 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 t70 -85.99 109.48 18.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.158 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.581 HG22 ' HB ' ' A' ' 66' ' ' VAL . 15.0 t -77.6 144.58 37.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.648 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -148.6 125.99 2.18 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.613 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.83 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.3 pp -162.24 151.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 112.143 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.59 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 17.6 pt20 -138.38 118.55 13.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.683 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 62' ' ' PHE . 43.4 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.61 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.598 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.674 0.274 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.464 ' N ' ' O ' ' B' ' 66' ' ' VAL . 9.1 t -74.53 148.33 41.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.246 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.55 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -148.94 127.03 2.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.919 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.932 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -158.77 138.28 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 111.705 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.441 ' HG2' ' OD1' ' D' ' 9' ' ' ASP . 51.9 tt0 -112.47 89.67 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.333 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.633 HG22 ' OH ' ' B' ' 75' ' ' TYR . 47.1 t -69.57 138.44 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.448 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.441 ' OD1' ' HG2' ' D' ' 7' ' ' GLN . 2.3 m-20 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.42 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.952 ' HB2' HD12 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.568 0.223 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 35.4 m -75.38 135.91 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.127 0.489 . . . . 0.0 112.11 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.7 mp -79.32 151.63 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.391 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HE2' HG23 ' A' ' 7' ' ' VAL . 75.3 mmtt -136.53 -41.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.342 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -138.68 48.19 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.749 0.309 . . . . 0.0 111.438 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . . . -65.45 138.76 58.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -158.76 59.07 0.43 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.415 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 17' ' ' MET . 22.8 ptm -167.32 -172.63 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.276 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 16' ' ' GLU . 33.2 t -60.93 135.35 57.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -54.84 -45.71 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.772 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 14' ' ' SER . 12.5 pt-20 -58.51 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.132 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.402 ' HB3' ' HE1' ' A' ' 13' ' ' MET . 66.6 mtt -60.11 -45.18 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 63.7 mt-30 -58.06 -42.54 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.822 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -59.55 -45.37 92.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.66 -39.87 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.665 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.7 m -65.16 -42.87 93.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.991 0.425 . . . . 0.0 110.234 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.655 HG13 ' CB ' ' A' ' 6' ' ' ALA . 64.8 t -63.45 -46.59 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.538 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.72 -46.82 77.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.321 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -65.29 -31.61 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.229 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.903 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -71.53 -41.28 69.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.209 0.528 . . . . 0.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -62.03 -47.13 86.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.302 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 74.0 mt-30 -60.93 -36.59 79.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.859 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.654 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -57.92 -46.63 84.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.335 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.647 ' CD2' HD11 ' A' ' 38' ' ' ILE . 65.7 mt -63.69 -46.46 85.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 111.551 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 16.0 pt-20 -71.65 -30.81 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.31 -33.1 24.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.855 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -124.8 -44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.907 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 65.35 45.03 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.995 0.426 . . . . 0.0 110.565 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.593 ' O ' HG13 ' A' ' 38' ' ' ILE . 58.1 mt -149.46 122.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.319 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.917 ' OE1' HG12 ' A' ' 58' ' ' VAL . 43.0 mm-40 -43.35 -49.53 6.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.875 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 36.4 ttpt -61.62 -56.91 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.876 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.465 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -50.53 -42.03 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.352 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.647 HD11 ' CD2' ' A' ' 29' ' ' LEU . 58.2 mt -48.5 -53.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.37 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -66.0 -23.77 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.245 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -69.14 -60.38 2.39 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.654 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -67.46 -44.58 78.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.405 -178.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 25' ' ' ALA . 69.4 mt -61.03 -43.9 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.165 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 5.9 ptpp? -64.38 -44.28 91.82 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.676 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 41' ' ' HIS . 5.2 mm-40 -56.85 -49.42 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.508 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.1 m-85 -69.51 -46.41 66.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.063 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.9 -40.9 70.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -84.21 -42.11 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.607 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -73.61 -60.16 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.359 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.3 m-85 -85.66 -14.41 45.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.016 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.03 145.66 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.437 0 C-N-CA 122.821 0.449 . . . . 0.0 110.0 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -60.01 168.87 5.36 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.124 1.882 . . . . 0.0 112.425 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 88' ' ' SER . 12.9 t -117.88 115.58 25.23 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.904 0.481 . . . . 0.0 110.85 0.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.2 m95 -94.24 129.48 40.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.284 0.564 . . . . 0.0 112.407 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 31.4 m-70 -107.28 141.29 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.739 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.752 ' O ' HD13 ' A' ' 57' ' ' ILE . 53.0 t -144.06 144.52 31.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.559 0.695 . . . . 0.0 112.764 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 56' ' ' CYS . 28.9 mm -144.22 148.03 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.358 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.917 HG12 ' OE1' ' A' ' 35' ' ' GLU . 49.1 t -155.26 137.05 5.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.827 0.346 . . . . 0.0 111.376 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.28 -135.02 2.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.254 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 15.3 ptm180 -177.88 38.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.678 0.275 . . . . 0.0 111.148 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 171.09 65.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 57' ' ' ILE . 8.9 p90 -163.63 133.07 4.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.039 0.447 . . . . 0.0 112.027 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -81.11 138.31 19.05 Favored Glycine 0 CA--C 1.517 0.185 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.2 t -126.29 147.37 49.72 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.651 0.726 . . . . 0.0 112.714 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.5 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 23.7 t80 -149.94 128.25 12.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.678 HG11 ' CE2' ' A' ' 86' ' ' PHE . 24.8 t -156.81 169.68 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 87.3 m -124.55 143.79 50.49 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.1 p80 -163.99 150.86 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.795 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HA ' ' H2 ' ' C' ' 1' ' ' MET . 16.5 pt-20 -60.75 144.68 51.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.192 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.567 HG23 ' H3 ' ' C' ' 1' ' ' MET . 69.1 p -56.49 148.58 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.4 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 65.06 36.78 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.684 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.436 ' CG ' ' HG3' ' A' ' 69' ' ' GLU . 62.6 m80 -154.03 54.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.827 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.919 ' CE1' HD11 ' A' ' 84' ' ' LEU . 73.0 t80 -159.25 143.53 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 85' ' ' LEU . 7.1 tt -153.62 138.6 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.596 ' OH ' HG22 ' C' ' 8' ' ' VAL . 4.8 t80 -144.93 134.39 23.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.823 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.55 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.9 p90 -164.27 140.03 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.368 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.577 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 16.5 m-30 -73.18 143.37 47.24 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.856 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.952 HD12 ' HB2' ' A' ' 6' ' ' ALA . 5.7 tt -168.6 138.71 2.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.785 0.326 . . . . 0.0 110.818 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.876 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 55.49 39.84 75.44 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.565 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.424 ' O ' HG13 ' A' ' 81' ' ' VAL . 3.8 mm100 56.35 36.48 27.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.809 0.337 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 78' ' ' LEU . 26.8 m -159.05 134.25 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.786 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.538 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -72.65 130.53 40.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.666 HD13 ' HB1' ' A' ' 25' ' ' ALA . 57.0 mt -112.5 139.69 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.919 HD11 ' CE1' ' A' ' 73' ' ' PHE . 57.8 tp -132.59 138.27 47.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.665 HD23 ' OG ' ' A' ' 21' ' ' SER . 57.1 tp -158.29 139.81 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.435 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.678 ' CE2' HG11 ' A' ' 66' ' ' VAL . 3.7 p90 -173.98 132.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.285 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -92.6 140.8 29.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.736 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 53' ' ' THR . 48.5 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.74 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.0 m -87.07 135.77 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 120.981 0.419 . . . . 0.0 111.531 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.849 HG12 ' HB2' ' B' ' 11' ' ' ALA . 6.2 tp -95.12 142.45 13.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.944 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -131.81 -41.32 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 74.0 m-20 -115.62 49.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.849 ' HB2' HG12 ' B' ' 8' ' ' ILE . . . -56.9 137.76 54.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.474 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 63.7 t0 -174.37 52.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.47 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 55.2 mtt -158.62 143.57 16.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -46.15 145.17 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.454 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 56.2 mt-10 -43.34 -39.65 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.74 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -67.69 -43.44 80.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.678 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.47 ' HB2' ' HB3' ' B' ' 13' ' ' MET . 67.0 mtt -64.51 -47.31 79.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.716 0.293 . . . . 0.0 111.229 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.768 ' O ' HG23 ' B' ' 22' ' ' VAL . 17.7 pt20 -65.27 -37.23 86.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.724 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.0 pt20 -71.66 -37.96 70.72 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.419 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -66.47 -40.2 89.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.012 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.473 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.768 HG23 ' O ' ' B' ' 18' ' ' GLN . 60.4 t -66.32 -44.53 90.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 19' ' ' GLN . 5.2 mm-40 -68.01 -43.52 78.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.72 -33.46 73.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.934 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -72.57 -39.15 67.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.147 0.498 . . . . 0.0 109.986 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -65.19 -45.93 82.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.446 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 87.8 mt-30 -62.49 -39.31 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.278 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.607 ' HB3' HG23 ' B' ' 38' ' ' ILE . . . -59.12 -44.04 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.358 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.19 -45.06 90.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.562 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 12.1 pt-20 -70.43 -32.61 70.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -83.6 -34.64 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.8 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.463 ' CG ' ' OD2' ' B' ' 37' ' ' ASP . 32.3 m-85 -124.06 -44.78 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' B' ' 32' ' ' TYR . 49.6 t30 68.23 51.77 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' B' ' 37' ' ' ASP . 57.3 mt -145.71 134.99 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.607 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.422 ' OE2' ' HB ' ' B' ' 81' ' ' VAL . 3.7 mm-40 -61.7 -48.66 79.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.512 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.431 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 2.0 tmmm? -69.73 -49.76 50.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.219 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.463 ' OD2' ' CG ' ' B' ' 32' ' ' TYR . 35.4 t70 -61.71 -44.39 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' B' ' 28' ' ' ALA . 0.2 OUTLIER -55.47 -51.16 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.994 0.426 . . . . 0.0 110.667 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -24.01 67.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -67.58 -55.58 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.821 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 -179.108 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.934 HD11 ' HA ' ' B' ' 25' ' ' ALA . 70.7 mt -60.18 -42.94 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.907 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.442 ' O ' ' HD2' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -62.5 -52.51 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.5 pttp -61.36 -43.37 98.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 65.9 mm-40 -59.98 -44.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.613 0.244 . . . . 0.0 111.632 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.589 ' CD2' HD21 ' B' ' 85' ' ' LEU . 15.2 m-85 -64.83 -38.93 92.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.652 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD1' ' B' ' 54' ' ' TRP . 19.4 m-20 -64.44 -38.38 90.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.762 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.629 ' HD3' ' N ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -80.54 -27.79 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.042 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.629 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 27.8 tptp -90.31 -63.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 4.2 m-85 -86.24 -15.11 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 66.4 m-20 95.36 141.59 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.521 0 C-N-CA 122.963 0.505 . . . . 0.0 110.491 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.417 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 28.9 Cg_endo -62.92 167.8 11.55 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.776 2.317 . . . . 0.0 113.283 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.3 t -114.71 127.27 55.66 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 122.436 0.294 . . . . 0.0 111.139 0.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.8 m95 -100.66 130.95 46.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 111.824 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.49 ' CE1' HG23 ' B' ' 53' ' ' THR . 15.6 m-70 -110.27 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.037 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.442 ' HB2' HD13 ' B' ' 85' ' ' LEU . 42.3 t -135.1 148.81 49.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.357 0.599 . . . . 0.0 112.216 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.558 HG21 ' CE2' ' B' ' 62' ' ' PHE . 54.4 mt -149.92 143.77 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.713 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.413 HG12 ' CD ' ' B' ' 35' ' ' GLU . 47.6 t -150.86 140.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 111.363 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.98 -131.98 1.8 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 16.0 ptp180 -172.59 32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 32.5 t30 168.33 81.71 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.723 0.297 . . . . 0.0 110.518 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.558 ' CE2' HG21 ' B' ' 57' ' ' ILE . 4.1 p90 -168.95 133.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.075 0.464 . . . . 0.0 111.77 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.65 133.58 12.59 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -128.18 143.45 51.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 1.7 t80 -152.36 121.13 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.423 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' D' ' 4' ' ' THR . 24.0 t -155.73 163.56 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.411 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.2 m -103.91 158.92 16.08 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.0 p80 -163.52 144.77 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.254 0.55 . . . . 0.0 112.083 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.76 160.41 17.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.377 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.7 p -55.92 142.35 35.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.933 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.623 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 61.28 15.84 6.8 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.477 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.52 ' ND1' ' HG3' ' B' ' 87' ' ' LYS . 57.6 m170 -124.66 69.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.402 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.638 ' CZ ' HG23 ' D' ' 4' ' ' THR . 2.3 t80 -160.9 132.41 5.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.624 HG22 ' O ' ' B' ' 85' ' ' LEU . 11.6 tt -155.55 142.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.06 0.457 . . . . 0.0 111.406 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.542 ' HD2' HD13 ' B' ' 84' ' ' LEU . 5.8 t80 -157.34 134.34 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.141 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.64 ' CE2' HG22 ' B' ' 22' ' ' VAL . 6.8 p90 -166.79 142.63 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.183 0.516 . . . . 0.0 111.819 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.712 ' HE1' ' HB2' ' B' ' 82' ' ' ALA . 68.9 m-85 -83.91 150.81 25.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.162 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' B' ' 6' ' ' ALA . 37.2 tp -155.8 131.57 9.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.781 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.77 -65.27 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.09 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' B' ' 78' ' ' LEU . 25.8 pt20 178.89 39.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.422 ' HB ' ' OE2' ' B' ' 35' ' ' GLU . 34.2 m -156.82 137.78 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.344 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.712 ' HB2' ' HE1' ' B' ' 77' ' ' TYR . . . -77.92 130.21 36.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.255 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.502 HD12 ' HE1' ' B' ' 76' ' ' PHE . 62.0 mt -113.08 141.43 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.562 HD21 ' HE2' ' B' ' 86' ' ' PHE . 60.9 tp -141.58 142.01 33.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.624 ' O ' HG22 ' B' ' 74' ' ' ILE . 60.9 tp -160.2 142.33 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.51 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.562 ' HE2' HD21 ' B' ' 84' ' ' LEU . 9.4 p90 -179.11 135.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.032 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.6 ptmt -98.27 170.41 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.671 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.4 t -146.96 132.81 19.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.603 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.415 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.567 ' H3 ' HG23 ' A' ' 70' ' ' THR . 27.8 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -154.91 133.87 12.26 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.271 0.557 . . . . 0.0 111.4 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.696 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 10.1 p-10 -79.83 128.91 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.863 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.493 HG22 ' HB ' ' A' ' 66' ' ' VAL . 10.5 t -78.31 136.4 37.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.071 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.453 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -133.04 120.2 2.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.332 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.791 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.5 pp -160.32 141.97 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.974 0.416 . . . . 0.0 111.193 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.469 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.8 pt20 -115.3 113.3 23.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.596 HG22 ' OH ' ' A' ' 75' ' ' TYR . 37.0 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.599 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 2.5 p30 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.257 0.551 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.638 HG23 ' CZ ' ' B' ' 73' ' ' PHE . 42.4 m -73.26 147.13 44.87 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.999 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.583 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -157.15 127.63 1.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.646 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.974 HD13 HG23 ' D' ' 8' ' ' VAL . 2.8 pp -161.59 138.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.994 0.425 . . . . 0.0 111.299 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' D' ' 7' ' ' GLN . 21.8 pt20 -104.12 82.71 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.974 HG23 HD13 ' D' ' 6' ' ' ILE . 62.7 t -69.7 133.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.812 0.339 . . . . 0.0 110.955 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 57.7 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.618 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.634 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.743 0.306 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -86.42 137.3 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 112.144 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.617 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -82.58 150.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.805 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -141.43 -44.11 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.415 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 21.5 t-20 -126.29 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.184 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -60.77 140.03 57.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -172.56 56.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.284 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 19.6 ptm -172.48 172.42 4.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.969 0.414 . . . . 0.0 111.293 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.8 m -48.06 142.57 5.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.678 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 56.1 mt-10 -56.95 -45.62 82.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.559 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.61 -43.2 99.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.271 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.433 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 65.9 mtt -58.88 -51.06 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.324 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.761 ' CB ' HD12 ' A' ' 74' ' ' ILE . 12.7 pt20 -58.27 -38.27 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.411 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 97.6 mm-40 -65.63 -44.32 86.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.24 -37.18 86.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.413 ' OG ' HD23 ' A' ' 85' ' ' LEU . 48.1 t -66.5 -45.62 78.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 18' ' ' GLN . 57.7 t -62.82 -48.37 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.616 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.63 -41.5 92.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.188 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.85 -35.46 80.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.847 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.866 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -67.69 -38.32 83.53 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.236 0.541 . . . . 0.0 109.616 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.4 m -60.6 -44.11 96.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -59.94 -44.64 94.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.355 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.93 -42.34 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.759 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.844 HD23 HD11 ' A' ' 38' ' ' ILE . 51.6 mt -60.39 -50.26 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.57 -31.13 71.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 60.0 mttp -79.28 -32.56 43.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.713 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 5.8 m-85 -139.61 -44.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 112.168 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.659 ' O ' HD13 ' A' ' 34' ' ' ILE . 23.9 t-20 69.65 53.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 110.583 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 33' ' ' ASN . 49.5 mm -145.29 127.34 9.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -48.35 -50.27 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.558 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 35.1 ttpt -62.32 -56.96 13.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.457 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -55.51 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.011 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.844 HD11 HD23 ' A' ' 29' ' ' LEU . 96.6 mt -50.5 -43.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 0.0 111.397 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.25 81.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.563 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB1' ' NZ ' ' A' ' 44' ' ' LYS . . . -67.68 -45.67 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 32' ' ' TYR . 17.4 m-70 -63.7 -52.04 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 111.795 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.866 HD11 ' HA ' ' A' ' 25' ' ' ALA . 55.6 mt -63.13 -49.64 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.06 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 43' ' ' LYS . 5.8 tmmm? -56.33 -57.52 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' NZ ' ' HB1' ' A' ' 40' ' ' ALA . 58.3 mttp -60.79 -42.74 98.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' OE2' ' HE2' ' A' ' 49' ' ' LYS . 34.4 tp10 -53.36 -50.15 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.83 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.473 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 14.2 m-85 -69.94 -41.4 74.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 58.0 m-20 -52.41 -32.89 41.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.901 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.49 -46.23 23.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.661 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HE2' ' OE2' ' A' ' 45' ' ' GLU . 67.4 mttm -82.38 -60.51 2.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.548 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.2 m-85 -81.32 -17.84 47.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.0 m120 90.17 143.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.315 0 C-N-CA 122.698 0.399 . . . . 0.0 110.167 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.42 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.0 Cg_endo -60.42 167.97 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.426 2.084 . . . . 0.0 113.074 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 9.0 t -113.1 132.11 55.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.679 0.392 . . . . 0.0 111.304 0.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.576 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 33.0 m95 -106.78 132.14 53.09 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.189 0.519 . . . . 0.0 111.823 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.495 ' ND1' HG13 ' B' ' 66' ' ' VAL . 15.6 m-70 -107.73 134.86 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.891 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -138.84 151.86 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.423 0.63 . . . . 0.0 112.41 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.542 HG23 ' O ' ' B' ' 63' ' ' GLY . 55.0 mt -150.21 144.7 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.664 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -146.95 129.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 111.102 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.81 -132.82 1.9 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.183 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.8 ptt180 -179.01 36.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 13.4 t-20 171.37 78.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.301 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.488 ' CD2' ' CB ' ' B' ' 62' ' ' PHE . 23.4 p90 -167.24 133.68 2.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -83.47 133.19 11.66 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 177.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.52 ' HB3' HD11 ' C' ' 6' ' ' ILE . 43.8 t -128.04 144.07 51.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.848 0.824 . . . . 0.0 113.092 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.457 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 0.9 OUTLIER -149.49 121.72 8.37 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.447 178.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.57 HG12 ' N ' ' A' ' 67' ' ' THR . 21.5 t -153.54 168.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.405 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.804 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 92.5 m -119.68 143.18 47.87 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.7 p80 -163.56 152.88 14.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.008 0.432 . . . . 0.0 111.59 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -58.67 138.21 57.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.991 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.408 HG22 ' CG ' ' C' ' 2' ' ' LYS . 60.9 p -58.31 147.97 29.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.221 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.649 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 7.1 mmpt? 67.53 36.4 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.129 0.49 . . . . 0.0 110.206 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -153.57 48.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.292 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.659 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 7.1 t80 -156.54 146.57 21.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.085 0.469 . . . . 0.0 111.412 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.761 HD12 ' CB ' ' A' ' 18' ' ' GLN . 9.8 tt -159.88 141.69 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.247 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.733 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.6 t80 -135.44 135.74 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.379 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 8.5 p90 -165.69 140.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.171 0.51 . . . . 0.0 112.06 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 6.1 m-85 -83.46 154.72 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.634 HD13 ' HB2' ' A' ' 6' ' ' ALA . 55.5 tp -161.25 136.9 7.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.46 . . . . 0.0 111.685 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 67.44 -66.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.953 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 51.0 tt0 179.8 36.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.099 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.2 m -159.45 134.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.607 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.09 122.65 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' HE1' ' A' ' 76' ' ' PHE . 58.4 mt -100.7 143.05 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.04 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.733 HD13 ' HD2' ' A' ' 75' ' ' TYR . 64.0 tp -134.23 139.92 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.413 HD23 ' OG ' ' A' ' 21' ' ' SER . 56.3 tp -158.52 136.75 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.487 ' CB ' ' HA ' ' A' ' 73' ' ' PHE . 4.3 p90 -174.36 127.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 20.9 ptmt -96.06 170.39 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.286 0.565 . . . . 0.0 111.826 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.462 ' O ' HG22 ' A' ' 53' ' ' THR . 58.6 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.65 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.957 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.606 0.241 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 25.8 m -91.67 137.04 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 111.609 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.619 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -83.49 128.74 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.178 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.627 ' HE3' ' HA ' ' B' ' 9' ' ' LYS . 0.0 OUTLIER -86.89 -42.06 13.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.23 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -171.22 63.69 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.83 0.347 . . . . 0.0 111.349 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.24 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 59.1 m-20 -156.59 61.74 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 111.459 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 22.0 ptm -173.24 -174.08 0.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.964 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.0 m -53.8 137.1 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.331 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.467 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 12.3 pt-20 -56.33 -44.9 80.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.403 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.535 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.5 pt-20 -58.06 -45.96 86.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.503 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.66 -46.42 88.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.82 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.6 pt20 -66.73 -38.27 86.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.604 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.535 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.9 pt20 -73.29 -36.01 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.511 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -69.9 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.698 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -67.58 -42.39 82.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 0.0 110.079 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.82 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.4 t -63.74 -48.95 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.393 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.18 -43.28 87.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.882 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.12 -36.18 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.674 ' CA ' HD11 ' B' ' 42' ' ' ILE . . . -67.74 -45.52 74.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.1 m -54.63 -42.04 70.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.187 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 39.8 tt0 -59.75 -43.38 94.29 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.043 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.49 -44.97 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.211 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.498 ' HG ' HD11 ' B' ' 38' ' ' ILE . 7.4 mp -61.06 -48.06 83.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.83 0.348 . . . . 0.0 111.37 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 22.9 pt-20 -67.92 -31.12 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.586 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' B' ' 27' ' ' GLN . 55.9 mtpt -79.43 -27.53 41.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.702 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.549 ' CE2' ' CE1' ' B' ' 41' ' ' HIS . 57.0 m-85 -146.56 -43.02 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.2 t30 70.23 51.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.087 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.2 mt -134.5 126.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.87 -47.76 60.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -65.71 -55.67 16.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 0.0 111.848 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.47 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.4 m-20 -54.11 -44.75 71.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.451 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.53 ' HA ' ' HB1' ' B' ' 28' ' ' ALA . 97.3 mt -47.04 -48.31 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.811 ' HB1' ' SG ' ' B' ' 56' ' ' CYS . . . -59.91 -37.92 80.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.457 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -63.68 -48.89 75.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.549 ' CE1' ' CE2' ' B' ' 32' ' ' TYR . 34.3 m-70 -57.9 -50.99 71.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 110.656 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.674 HD11 ' CA ' ' B' ' 25' ' ' ALA . 61.8 mt -67.35 -34.0 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.641 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' B' ' 47' ' ' ASP . 29.2 tptp -57.87 -68.67 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.568 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.48 -43.8 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -53.17 -48.37 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.497 ' CE1' HG23 ' B' ' 42' ' ' ILE . 5.7 m-85 -75.02 -42.87 56.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 58.2 m-20 -57.99 -40.09 79.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 110.959 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -74.43 -41.13 61.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.841 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.37 -70.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.3 m-85 -78.77 -13.67 59.69 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -177.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 61.8 m-20 92.91 143.0 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 122.726 0.411 . . . . 0.0 110.496 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.439 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 35.3 Cg_endo -64.67 171.28 8.59 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.533 2.155 . . . . 0.0 113.101 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.71 HG22 ' O ' ' B' ' 88' ' ' SER . 12.6 t -117.37 114.96 24.31 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.24 0.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -88.63 120.66 30.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.874 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.432 ' CD2' ' HG ' ' B' ' 88' ' ' SER . 35.0 m-70 -89.2 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.811 ' SG ' ' HB1' ' B' ' 39' ' ' ALA . 18.2 p -142.3 143.16 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.599 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.736 HD13 ' O ' ' B' ' 56' ' ' CYS . 28.7 mm -143.33 149.54 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.73 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -153.56 132.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.362 . . . . 0.0 111.257 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.01 -135.06 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.602 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.5 ptt180 -176.86 37.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.661 0.267 . . . . 0.0 111.082 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 20.5 t-20 165.31 81.64 0.0 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.209 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.84 ' CE1' HG21 ' D' ' 8' ' ' VAL . 18.3 p90 -176.4 140.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -93.71 142.08 15.84 Favored Glycine 0 N--CA 1.454 -0.135 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.937 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -144.31 146.35 32.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 117.861 0.83 . . . . 0.0 113.051 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' D' ' 4' ' ' THR . 14.7 m-85 -139.25 136.45 34.96 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.168 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.53 ' HB ' HG22 ' D' ' 4' ' ' THR . 17.1 t -158.41 158.19 2.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.647 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.407 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.0 m -105.51 152.51 22.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -169.16 147.21 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.01 156.86 34.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.17 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -61.95 157.1 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.62 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.609 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 66.04 36.78 5.59 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.235 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.0 m-70 -163.47 69.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.475 ' HB3' ' HB2' ' B' ' 12' ' ' ASP . 1.5 t80 -154.59 127.24 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.652 ' O ' HD12 ' B' ' 84' ' ' LEU . 13.2 tt -154.83 146.15 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.294 0.568 . . . . 0.0 111.718 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.768 ' HD2' HD13 ' B' ' 84' ' ' LEU . 2.1 t80 -155.66 136.56 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.135 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.548 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.9 p90 -165.24 142.27 5.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -78.85 149.75 32.43 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.988 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.957 HD13 ' HB2' ' B' ' 6' ' ' ALA . 28.1 tp -158.05 133.61 8.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 111.895 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 80' ' ' GLN . . . 66.77 -66.48 0.18 Allowed Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.868 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' B' ' 80' ' ' GLN . 39.7 tt0 179.0 38.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.096 0.474 . . . . 0.0 109.837 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.427 HG13 ' O ' ' B' ' 80' ' ' GLN . 31.5 m -159.42 137.83 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.176 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -71.68 137.67 48.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.6 mt -122.33 141.62 42.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.288 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' B' ' 75' ' ' TYR . 54.8 tp -136.11 139.65 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.61 ' O ' HG22 ' B' ' 74' ' ' ILE . 53.3 tp -154.43 141.45 19.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.029 0.443 . . . . 0.0 111.141 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 3.3 p90 -178.45 128.22 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.948 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.761 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.5 ptpt -80.06 164.34 23.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.178 0.513 . . . . 0.0 111.684 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.71 ' O ' HG22 ' B' ' 53' ' ' THR . 62.3 m -146.56 134.27 21.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.693 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.526 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.789 0.328 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' C' ' 2' ' ' LYS . 0.1 OUTLIER -164.52 142.86 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 110.983 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.804 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -86.99 132.87 33.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.33 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.9 t -74.79 143.59 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.615 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -143.76 118.55 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.44 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.615 HG23 ' O ' ' C' ' 5' ' ' GLY . 2.5 pp -163.09 168.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.422 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 26.5 pt20 -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.634 HG21 ' OH ' ' A' ' 75' ' ' TYR . 53.6 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.8 p-10 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.875 0.369 . . . . 0.0 111.831 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.53 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.9 t -69.65 138.58 53.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.709 178.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.637 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -142.88 125.05 2.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.013 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.886 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -162.15 146.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.229 0.538 . . . . 0.0 111.992 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 15.2 pt20 -125.18 108.32 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.84 HG21 ' CE1' ' B' ' 62' ' ' PHE . 23.9 t -72.15 131.69 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.377 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.812 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.25 139.58 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.221 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.5 mp -79.76 147.24 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.953 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.96 -36.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 76.2 m-20 -143.47 48.67 1.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.624 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.12 143.75 56.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.499 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -162.29 54.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 111.496 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.5 ptp -169.68 -174.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -60.94 143.06 55.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.034 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.1 mt-10 -54.45 -43.06 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.617 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 17' ' ' MET . 12.3 pt-20 -58.03 -47.79 82.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.819 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 67.5 mtt -57.21 -51.12 70.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.697 0.284 . . . . 0.0 111.585 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.891 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.8 pt20 -60.5 -37.2 80.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.121 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.27 -44.08 80.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.121 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.527 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m-20 -65.45 -37.64 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -66.88 -41.16 87.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.236 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.896 HG22 ' CE2' ' A' ' 76' ' ' PHE . 59.9 t -64.87 -48.63 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.678 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -67.47 -41.88 83.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.13 -33.35 75.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.809 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.92 -40.82 75.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 109.775 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -60.23 -48.14 83.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.257 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 73.5 mt-30 -58.25 -38.73 77.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.676 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -54.1 -49.58 68.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.904 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.839 ' CD2' HD11 ' A' ' 38' ' ' ILE . 63.3 mt -58.73 -43.8 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.79 -33.69 73.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.435 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -87.71 -44.8 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.514 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 92.6 m-85 -110.35 -45.91 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.868 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 21.6 t-20 67.88 43.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 110.161 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.569 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.5 mt -153.44 122.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.461 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.648 ' HA ' HD12 ' A' ' 38' ' ' ILE . 11.8 pt-20 -43.94 -44.56 7.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.018 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.89 -58.81 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.434 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HB3' ' CG ' ' A' ' 32' ' ' TYR . 57.4 m-20 -57.45 -42.83 83.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.549 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.839 HD11 ' CD2' ' A' ' 29' ' ' LEU . 91.8 mt -48.42 -52.59 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.156 0.503 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.677 ' HB1' ' CB ' ' A' ' 56' ' ' CYS . . . -64.75 -30.47 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.325 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.26 -62.83 1.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.506 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -61.93 -47.25 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.303 -178.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.809 HD11 ' HA ' ' A' ' 25' ' ' ALA . 83.4 mt -57.38 -38.86 64.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.237 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -61.33 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.155 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -57.56 -44.22 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.746 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.16 -52.64 64.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.653 0.263 . . . . 0.0 111.053 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.639 ' CD2' HD21 ' A' ' 85' ' ' LEU . 44.6 m-85 -66.15 -42.0 89.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.675 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 6.3 t0 -59.82 -36.4 76.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.506 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.56 -44.31 19.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.316 -179.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.0 -66.89 0.79 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.564 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.1 m-85 -79.06 -20.55 48.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.633 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.3 143.6 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.656 0.382 . . . . 0.0 110.205 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.44 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 13.6 Cg_endo -57.4 170.51 1.7 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.631 2.22 . . . . 0.0 113.102 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 88' ' ' SER . 13.5 t -116.74 109.66 17.43 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 121.05 0.453 . . . . 0.0 111.193 0.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.759 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.0 m95 -85.77 124.29 32.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.462 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.499 ' HD1' HG13 ' B' ' 66' ' ' VAL . 45.1 m-70 -91.44 131.29 37.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.986 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.677 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . 80.1 m -120.56 139.99 52.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.237 0.541 . . . . 0.0 111.856 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.437 HG23 ' O ' ' B' ' 63' ' ' GLY . 56.7 mt -151.49 137.55 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.674 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -153.21 135.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.468 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.4 -132.07 1.86 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.706 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 26.3 ptt-85 -178.89 35.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 38.4 t30 167.71 81.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.648 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 15.1 p90 -166.92 138.08 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.425 0.631 . . . . 0.0 112.618 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.64 142.32 16.02 Favored Glycine 0 N--CA 1.454 -0.164 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.8 m -159.84 154.64 24.44 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 22.0 m-85 -144.03 142.42 30.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.067 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 67' ' ' THR . 54.2 t -157.46 166.73 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.602 ' N ' HG12 ' A' ' 66' ' ' VAL . 91.5 m -126.24 142.41 51.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.9 p80 -162.65 151.88 15.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.653 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt-20 -60.82 145.71 48.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.2 p -59.77 152.75 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.692 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 66.58 37.54 4.43 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.146 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.427 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 64.3 m80 -157.54 56.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 5.6 t80 -164.76 144.91 7.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.148 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.872 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -158.37 135.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.07 0.462 . . . . 0.0 111.25 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.872 ' N ' HD13 ' A' ' 74' ' ' ILE . 45.3 t80 -134.16 142.42 47.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.653 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.896 ' CE2' HG22 ' A' ' 22' ' ' VAL . 1.1 p90 -169.92 137.84 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.145 0.497 . . . . 0.0 111.999 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -83.0 154.82 24.28 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.146 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.812 HD13 ' HB2' ' A' ' 6' ' ' ALA . 51.3 tp -161.09 131.27 5.04 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.99 -66.47 0.13 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.236 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.463 ' O ' HG13 ' A' ' 81' ' ' VAL . 26.3 pt20 -178.62 36.86 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.079 0.466 . . . . 0.0 110.173 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.1 m -160.34 135.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -82.43 125.27 30.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 83' ' ' ILE . 3.2 mp -103.77 140.07 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.262 178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 64.3 tp -136.8 138.8 41.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.639 HD21 ' CD2' ' A' ' 46' ' ' PHE . 58.0 tp -156.66 139.41 15.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.828 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.529 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 2.6 p90 -176.2 128.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.437 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.759 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -81.54 163.5 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -179.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.735 ' O ' HG22 ' A' ' 53' ' ' THR . 47.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.913 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.735 0.302 . . . . 0.0 111.797 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -96.56 137.06 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.631 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -88.64 144.35 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -124.15 -50.36 1.8 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.496 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -100.05 -58.92 1.81 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.351 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.777 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . 60.93 136.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.046 0.451 . . . . 0.0 111.677 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 36.8 t70 -179.58 48.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.207 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.852 ' HE2' ' HB3' ' B' ' 17' ' ' MET . 86.4 mtp -152.38 138.38 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.632 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 63.2 p -45.13 147.35 0.73 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.2 pt-20 -39.25 -46.23 1.49 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.512 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 23.0 pt-20 -65.2 -44.3 88.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.787 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.852 ' HB3' ' HE2' ' B' ' 13' ' ' MET . 90.1 mtp -63.78 -45.14 91.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.289 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.791 ' O ' HG23 ' B' ' 22' ' ' VAL . 17.7 pt20 -67.49 -38.77 84.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.652 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.4 pt20 -71.56 -32.54 68.21 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.408 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -69.5 -40.78 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.521 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -69.24 -44.59 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.037 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 18' ' ' GLN . 62.0 t -66.17 -43.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.427 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -69.06 -42.54 76.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.61 -34.97 79.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.689 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.38 -38.55 78.07 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.185 0.517 . . . . 0.0 109.875 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -59.92 -45.91 91.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.173 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.3 -38.85 88.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.806 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.49 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -55.26 -46.06 76.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.287 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.718 ' CD2' HD11 ' B' ' 38' ' ' ILE . 70.6 mt -64.32 -45.54 87.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.66 -32.92 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.231 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -84.32 -35.18 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.979 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -121.74 -44.48 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.841 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 64.95 41.58 4.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.9 mt -152.74 112.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.449 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.666 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.7 OUTLIER -41.3 -41.91 2.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.26 -179.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -59.02 -56.16 25.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.241 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -61.95 -40.49 95.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.698 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.718 HD11 ' CD2' ' B' ' 29' ' ' LEU . 81.6 mt -46.45 -54.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.41 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.114 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -67.69 -63.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.49 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.86 -46.55 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.661 -178.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.689 HD11 ' HA ' ' B' ' 25' ' ' ALA . 68.3 mt -59.61 -46.71 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.612 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.47 ' HB3' ' NZ ' ' B' ' 43' ' ' LYS . 4.5 ttpm? -58.03 -50.0 74.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.774 0.321 . . . . 0.0 111.158 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -59.31 -45.06 92.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.562 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.54 -49.09 73.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 111.056 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' B' ' 85' ' ' LEU . 28.7 m-85 -63.5 -45.95 88.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.565 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 64.4 m-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.407 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.5 tmtp? -76.12 -40.7 52.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.433 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -82.62 -60.87 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.27 -21.47 31.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 64.0 m-20 93.54 142.27 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 122.656 0.382 . . . . 0.0 109.995 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.98 168.65 0.79 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.311 2.008 . . . . 0.0 112.786 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 88' ' ' SER . 9.9 t -117.87 118.97 33.46 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 122.63 0.372 . . . . 0.0 111.256 0.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.621 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.9 m95 -94.11 127.6 40.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.344 0.592 . . . . 0.0 112.368 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.534 ' ND1' HG13 ' A' ' 66' ' ' VAL . 32.7 m-70 -101.39 137.79 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.125 178.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.6 t -139.64 149.4 43.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.347 0.594 . . . . 0.0 112.273 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.497 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 62.9 mt -150.73 143.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.803 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 58.2 t -155.1 132.44 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 111.418 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 173.88 -141.63 6.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.692 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 25.3 mmt180 -160.44 37.85 0.17 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 163.97 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.648 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 9.7 p90 -164.78 141.91 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -89.59 142.28 16.58 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 55.4 m -144.68 145.41 31.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.567 0.683 . . . . 0.0 112.512 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.478 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 3.7 t80 -152.31 129.78 11.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.257 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.624 HG12 ' N ' ' B' ' 67' ' ' THR . 45.7 t -158.33 168.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.121 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.624 ' N ' HG12 ' B' ' 66' ' ' VAL . 99.6 m -124.5 142.09 51.59 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -161.29 148.22 14.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.091 0.472 . . . . 0.0 112.073 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.74 154.44 33.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.21 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.5 p -62.85 154.32 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.675 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.61 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.14 38.45 8.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 88.9 m-70 -162.84 69.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.274 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.656 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 5.5 t80 -176.86 145.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.444 ' O ' HG23 ' B' ' 74' ' ' ILE . 11.9 tt -163.32 125.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.123 0.487 . . . . 0.0 111.842 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.478 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 45.5 t80 -117.87 136.44 53.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.151 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.9 p90 -170.04 138.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.004 0.431 . . . . 0.0 111.546 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -78.85 147.2 33.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.913 HD13 ' HB2' ' B' ' 6' ' ' ALA . 48.2 tp -162.63 144.96 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.82 39.64 68.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.322 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.463 ' O ' HG13 ' B' ' 81' ' ' VAL . 10.0 mm100 59.67 36.75 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.608 0.242 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 78' ' ' LEU . 28.8 m -159.92 136.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.478 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.44 136.66 51.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' B' ' 78' ' ' LEU . 60.8 mt -127.67 143.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 63.0 tp -139.38 140.76 37.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.691 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.532 HD21 ' CE2' ' B' ' 46' ' ' PHE . 57.6 tp -153.61 138.73 17.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.759 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.656 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.2 p90 -177.56 131.31 0.16 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 63.5 pttt -91.73 148.69 22.06 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.182 0.515 . . . . 0.0 111.882 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.625 ' O ' HG22 ' B' ' 53' ' ' THR . 46.8 t -119.64 129.55 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.673 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.597 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.506 ' HE3' HG22 ' A' ' 67' ' ' THR . 93.9 mmm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.792 0.329 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.496 ' NZ ' ' HB3' ' C' ' 2' ' ' LYS . 8.4 mtpm? -158.18 130.42 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.568 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 43.5 p-10 -76.57 120.45 21.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.635 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.529 HG21 ' HE2' ' A' ' 73' ' ' PHE . 11.7 t -80.25 132.8 35.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.257 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.02 134.05 9.05 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.799 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 pt -153.59 167.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.517 0.675 . . . . 0.0 112.261 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 2.9 tp60 -158.74 76.77 0.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.841 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.555 HG22 ' OH ' ' A' ' 75' ' ' TYR . 48.1 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.3 p-10 . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 111.548 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.525 HG22 ' HB ' ' B' ' 66' ' ' VAL . 12.7 t -76.32 137.66 40.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -135.34 127.06 4.2 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.975 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 47.5 pt -157.5 170.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.092 0.473 . . . . 0.0 111.432 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -162.15 87.58 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.985 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.2 t -69.5 146.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.341 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.6 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.113 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.741 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.786 0.326 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 23.9 m -108.72 137.92 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.783 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.846 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -85.09 138.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.799 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -119.42 -48.32 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.372 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -93.7 -58.52 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.846 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . 61.2 129.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.511 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 64.8 t0 179.03 47.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.057 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.485 ' HE3' ' N ' ' A' ' 73' ' ' PHE . 58.8 mtt -157.93 144.95 18.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.629 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -49.38 144.66 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.64 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.7 pt-20 -42.13 -40.54 2.35 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.47 -45.79 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.468 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.412 ' HB3' ' HB3' ' A' ' 13' ' ' MET . 46.7 ttm -60.69 -50.32 73.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.667 0.27 . . . . 0.0 111.154 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.6 pt20 -61.77 -35.54 78.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.364 . . . . 0.0 110.469 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.11 -44.56 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -36.95 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.685 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.7 m -64.56 -43.4 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.986 0.422 . . . . 0.0 109.925 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' GLN . 75.5 t -63.27 -47.47 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.66 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.8 -44.64 85.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.1 m -63.63 -32.51 74.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.716 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -71.31 -38.37 71.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.436 ' HA ' HD12 ' A' ' 29' ' ' LEU . 87.2 m -62.41 -47.32 84.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.349 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.1 tt0 -60.2 -48.73 80.5 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.938 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.949 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -53.19 -35.41 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.825 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 38' ' ' ILE . 44.8 mt -63.09 -54.92 30.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.035 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 20.4 pt-20 -59.19 -21.11 58.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.081 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 31.3 mmmt -71.13 -40.65 71.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -153.75 -45.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 179.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' ND2' HD22 ' A' ' 29' ' ' LEU . 26.0 t-20 67.87 57.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 34' ' ' ILE . 30.8 mt -136.44 29.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 38' ' ' ILE . 8.1 mp0 64.29 -63.47 0.16 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.424 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.3 ttpm? -56.61 -57.0 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 111.441 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.591 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 m-20 -58.35 -40.31 81.84 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.199 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.949 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 56.1 mt -49.83 -46.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.312 0.577 . . . . 0.0 110.07 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -67.02 -25.86 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.988 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 37' ' ' ASP . . . -62.52 -47.88 82.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.441 . . . . 0.0 110.692 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.485 ' NE2' ' HG3' ' A' ' 31' ' ' LYS . 66.4 m-70 -68.41 -47.49 67.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.379 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.789 ' CG2' HD22 ' A' ' 85' ' ' LEU . 60.9 mt -63.25 -44.55 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.013 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 39' ' ' ALA . 14.9 ptmm? -62.93 -48.22 79.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.663 0.268 . . . . 0.0 111.576 -179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 67.1 mttm -70.26 -44.6 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -54.47 -51.74 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.479 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -70.09 -41.49 73.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 5.2 t0 -57.88 -37.18 73.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.44 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.51 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.2 tmtt? -75.98 -45.36 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.784 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -81.94 -64.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -76.38 -21.97 55.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.552 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 35.4 t30 92.2 137.44 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.475 0 O-C-N 123.289 0.368 . . . . 0.0 110.25 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.432 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 8.0 Cg_endo -50.52 169.77 0.15 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.772 2.315 . . . . 0.0 113.269 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.889 HG22 ' O ' ' A' ' 88' ' ' SER . 12.9 t -117.41 106.64 13.43 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.161 0.505 . . . . 0.0 111.416 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.73 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.3 m95 -85.88 122.46 29.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.102 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.466 ' ND1' HG13 ' B' ' 66' ' ' VAL . 32.3 m-70 -96.35 133.87 40.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.818 ' C ' HD12 ' A' ' 57' ' ' ILE . 42.8 t -132.7 138.61 47.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.396 0.617 . . . . 0.0 112.401 -178.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.927 HD13 HD23 ' A' ' 84' ' ' LEU . 2.7 mp -137.67 139.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.378 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.9 t -144.77 137.16 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 111.305 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.83 -133.27 2.59 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.06 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.5 ptt180 -179.72 37.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.737 0.304 . . . . 0.0 111.564 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 174.19 77.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.355 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.745 ' CE2' HG21 ' A' ' 57' ' ' ILE . 5.7 p90 -170.08 134.96 1.3 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 0.0 111.796 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -107.36 139.24 14.9 Favored Glycine 0 N--CA 1.455 -0.059 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.487 ' HB3' HG23 ' B' ' 57' ' ' ILE . 79.0 p -161.11 165.08 30.17 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.758 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 13.6 m-85 -133.8 148.41 51.34 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.173 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 16.0 t -157.85 166.29 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.542 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.8 m -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.1 p80 -165.21 143.41 6.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.016 0.436 . . . . 0.0 112.049 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 148.9 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.821 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.529 HG23 ' H1 ' ' C' ' 1' ' ' MET . 77.1 p -59.13 153.94 17.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.455 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 10.9 mmpt? 65.21 39.16 5.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.616 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 78.3 m-70 -165.18 55.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.375 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 44.7 t80 -157.75 141.26 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.636 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 85' ' ' LEU . 11.4 tt -160.58 137.93 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.248 0.547 . . . . 0.0 112.046 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' C' ' 8' ' ' VAL . 47.0 t80 -142.33 132.77 25.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.187 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.527 ' CE2' HG22 ' A' ' 22' ' ' VAL . 1.4 p90 -165.39 138.4 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.042 0.449 . . . . 0.0 111.958 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.752 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 54.2 m-85 -77.33 143.49 38.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.302 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 6' ' ' ALA . 39.3 tp -170.36 143.44 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.02 40.81 91.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.454 ' O ' HG13 ' A' ' 81' ' ' VAL . 83.8 mt-30 56.21 33.54 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.6 m -159.95 132.15 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -74.55 130.15 39.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 83' ' ' ILE . 4.1 mp -106.45 140.79 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.927 HD23 HD13 ' A' ' 57' ' ' ILE . 55.0 tp -130.15 139.39 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.518 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD22 ' CG2' ' A' ' 42' ' ' ILE . 50.0 tp -159.9 136.47 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.542 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -176.26 129.28 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.236 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.73 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 18.1 ptpt -79.0 163.24 25.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.991 0.424 . . . . 0.0 111.487 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.889 ' O ' HG22 ' A' ' 53' ' ' THR . 47.2 t . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.929 ' HB2' HD12 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.89 0.376 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 19.1 m -101.53 138.08 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.416 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.691 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -85.73 149.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.279 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -140.94 -40.65 0.4 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.296 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -131.94 49.85 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.691 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -58.49 142.59 48.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -168.52 59.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.409 ' HG3' ' HB3' ' B' ' 18' ' ' GLN . 11.2 ptp -173.53 150.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.144 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -40.99 144.94 0.23 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.83 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.456 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 49.7 mt-10 -48.83 -47.19 42.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.087 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.463 ' OE2' ' HB2' ' B' ' 17' ' ' MET . 1.1 pp20? -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.175 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.463 ' HB2' ' OE2' ' B' ' 16' ' ' GLU . 46.5 ttm -71.72 -48.53 46.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.349 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.771 ' O ' HG23 ' B' ' 22' ' ' VAL . 17.2 pt20 -65.92 -40.5 91.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.499 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -66.14 -38.02 87.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.729 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.6 -38.09 77.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.471 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.505 ' OG ' HD23 ' B' ' 85' ' ' LEU . 43.9 t -68.38 -44.54 74.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.102 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 18' ' ' GLN . 53.1 t -65.95 -44.66 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.26 -42.48 83.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.086 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.51 -32.17 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.733 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.633 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.02 -40.16 78.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 109.598 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.0 m -59.52 -46.1 89.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.221 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -58.87 -42.06 88.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.953 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.811 ' CB ' HG23 ' B' ' 38' ' ' ILE . . . -56.55 -40.92 75.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.005 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.818 HD23 HD11 ' B' ' 38' ' ' ILE . 50.2 mt -63.66 -49.24 73.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 111.422 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -69.23 -30.63 68.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.315 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.79 -32.32 19.14 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.468 ' O ' ' CG ' ' B' ' 33' ' ' ASN . 3.7 m-85 -124.86 -37.09 2.49 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.539 ' O ' HD13 ' B' ' 34' ' ' ILE . 23.2 p30 53.12 44.84 29.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.067 0.46 . . . . 0.0 111.013 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.539 HD13 ' O ' ' B' ' 33' ' ' ASN . 45.1 mm -150.65 123.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.449 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -49.93 -45.15 50.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.138 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.502 ' HB2' ' HB3' ' C' ' 7' ' ' GLN . 0.8 OUTLIER -67.66 -48.93 65.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.703 -179.165 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -64.77 -44.11 91.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.364 . . . . 0.0 111.41 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.818 HD11 HD23 ' B' ' 29' ' ' LEU . 68.2 mt -54.41 -54.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.909 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -62.1 -27.42 68.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.872 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.758 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -67.54 -61.16 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -60.24 -49.14 78.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.018 -178.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' B' ' 25' ' ' ALA . 67.8 mt -57.66 -38.06 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.428 ' CE ' ' HB3' ' A' ' 65' ' ' TYR . 24.6 ttpp -58.58 -49.85 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.012 0.434 . . . . 0.0 110.622 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -64.37 -44.24 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.882 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.0 mm-40 -54.74 -52.37 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.325 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.454 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 12.1 m-85 -72.49 -41.15 66.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.447 ' OD1' ' HG3' ' B' ' 52' ' ' PRO . 4.7 t70 -57.4 -37.08 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.786 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -88.82 -39.63 13.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.772 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' B' ' 50' ' ' TYR . 55.8 tptt -74.21 -69.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.508 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 9.7 m-30 -76.29 -6.62 52.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 94.07 142.29 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 C-N-CA 123.081 0.552 . . . . 0.0 110.697 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.447 ' HG3' ' OD1' ' B' ' 47' ' ' ASP . 16.6 Cg_exo -65.12 167.2 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.419 2.079 . . . . 0.0 112.622 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.508 HG23 ' O ' ' B' ' 53' ' ' THR . 13.9 t -118.54 115.7 25.12 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.916 0.486 . . . . 0.0 110.742 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.744 ' CG ' ' HB3' ' B' ' 87' ' ' LYS . 22.5 m95 -87.92 134.85 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.348 0.594 . . . . 0.0 112.464 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -105.0 128.77 53.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.824 ' C ' HD12 ' B' ' 57' ' ' ILE . 77.6 m -119.53 134.03 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.547 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.824 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.9 mp -141.48 139.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.808 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 46.8 t -155.35 136.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 0.0 111.322 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.06 -138.55 3.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.839 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 6.7 ptp85 -169.03 33.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.513 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 29.0 t30 165.34 82.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.411 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' B' ' 57' ' ' ILE . 26.1 p90 -169.12 135.67 1.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -93.96 140.12 14.89 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.642 ' OG ' HG23 ' A' ' 57' ' ' ILE . 49.8 m -147.57 151.56 36.48 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.401 ' C ' HG23 ' B' ' 66' ' ' VAL . 10.8 m-85 -137.04 134.66 36.8 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.17 -1.377 . . . . 0.0 109.103 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.551 HG12 ' N ' ' B' ' 67' ' ' THR . 24.9 t -157.7 165.15 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.265 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.551 ' N ' HG12 ' B' ' 66' ' ' VAL . 93.8 m -118.15 151.1 38.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -163.75 150.88 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -62.31 143.84 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.01 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 67.7 p -58.86 150.05 25.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.744 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.633 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 64.82 35.54 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.474 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.1 m80 -157.07 69.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 8.1 t80 -170.93 146.15 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.063 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' B' ' 18' ' ' GLN . 8.7 tt -166.48 130.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.69 ' CD2' HD13 ' B' ' 84' ' ' LEU . 2.6 t80 -118.71 137.49 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.688 ' HD2' ' HB1' ' B' ' 6' ' ' ALA . 3.2 p90 -167.23 137.0 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.013 0.435 . . . . 0.0 112.17 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.683 ' CE2' ' HB2' ' B' ' 82' ' ' ALA . 8.6 m-85 -86.06 148.98 25.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.929 HD12 ' HB2' ' B' ' 6' ' ' ALA . 4.6 tt -157.14 136.24 11.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.483 . . . . 0.0 111.608 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.772 ' N ' HD23 ' B' ' 78' ' ' LEU . . . 69.79 -82.66 0.3 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.483 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.459 ' O ' HG13 ' B' ' 81' ' ' VAL . 71.4 mt-30 -161.8 33.37 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.805 0.335 . . . . 0.0 110.347 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.554 ' O ' HD12 ' B' ' 83' ' ' ILE . 30.6 m -159.37 134.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.683 ' HB2' ' CE2' ' B' ' 77' ' ' TYR . . . -70.68 127.39 32.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.578 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.554 HD12 ' O ' ' B' ' 81' ' ' VAL . 4.7 mp -108.22 140.48 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' B' ' 75' ' ' TYR . 58.3 tp -136.06 135.41 39.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.775 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' B' ' 56' ' ' CYS . 55.3 tp -146.64 135.52 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.345 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.497 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.3 p90 -176.7 130.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.075 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.744 ' HB3' ' CG ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -105.73 171.07 7.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.284 0.564 . . . . 0.0 112.429 -179.053 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.4 t -143.06 136.11 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.703 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.388 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.529 ' H1 ' HG23 ' A' ' 70' ' ' THR . 3.5 mpp? . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -158.37 136.39 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.583 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -76.06 120.57 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.9 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.4 t -74.78 152.42 39.03 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.391 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.65 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -155.06 125.85 1.76 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.784 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.844 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.3 pp -161.39 144.08 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 0.0 112.259 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.502 ' HB3' ' HB2' ' B' ' 36' ' ' LYS . 17.1 pt20 -116.61 89.19 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.659 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' A' ' 75' ' ' TYR . 45.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.0 t70 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.692 0.282 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.489 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.7 t -79.99 142.76 34.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.588 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.672 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -144.87 125.76 2.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.88 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.813 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.3 pp -162.56 149.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 111.93 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.512 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 26.7 pt20 -132.69 127.61 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 51.4 t -114.98 142.98 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 111.037 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.668 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.11 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -95.67 136.9 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.361 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.611 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -76.52 134.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.793 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -115.83 -34.61 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -156.24 51.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.358 . . . . 0.0 111.342 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . . . -58.8 141.29 53.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -157.69 74.82 0.76 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.317 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 61.1 mtt -156.27 -166.87 2.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.93 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' GLU . 56.4 m -86.74 38.96 0.82 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.278 0.474 . . . . 0.0 112.278 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.415 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.3 mt-10 65.31 -59.67 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 14' ' ' SER . 24.6 pt-20 -59.22 -41.36 88.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.37 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 63.3 mtt -60.51 -51.0 71.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.394 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.804 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.1 pt20 -61.21 -37.47 83.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.807 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -61.63 -41.62 97.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.08 -37.37 81.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.515 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 m -68.16 -42.85 79.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.923 0.392 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 18' ' ' GLN . 50.2 t -65.52 -45.68 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.594 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.71 -42.17 78.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.039 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.12 -34.41 77.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.731 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -68.59 -39.85 80.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.374 0.607 . . . . 0.0 109.753 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.5 m -58.65 -45.49 89.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.155 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.42 -42.44 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.726 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB1' HG13 ' A' ' 38' ' ' ILE . . . -51.9 -46.6 64.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.658 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 78' ' ' LEU . 66.2 mt -59.2 -52.75 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.25 0.548 . . . . 0.0 110.798 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.01 -31.36 72.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.93 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 98.2 mttt -78.9 -37.36 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.785 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 42.4 m-85 -145.82 -53.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 42.5 t30 62.5 32.32 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.468 . . . . 0.0 110.058 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 34' ' ' ILE . 40.3 mm -101.02 25.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.708 ' N ' HD13 ' A' ' 38' ' ' ILE . 56.2 mt-10 55.76 -66.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.639 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.5 ttpm? -59.71 -54.2 49.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.325 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -55.19 -34.58 64.0 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.015 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.708 HD13 ' N ' ' A' ' 35' ' ' GLU . 2.0 mp -57.53 -59.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.618 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.56 68.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.071 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.802 ' HB2' ' CZ ' ' B' ' 65' ' ' TYR . . . -66.02 -62.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -64.43 -47.56 78.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.742 -178.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 25' ' ' ALA . 74.9 mt -55.73 -47.86 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.654 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.433 ' CE ' ' HB3' ' B' ' 65' ' ' TYR . 24.9 ttpp -59.08 -50.67 73.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -55.62 -44.44 77.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -57.84 -47.16 83.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.724 0.297 . . . . 0.0 111.218 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.5 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 36.3 m-85 -65.95 -43.37 88.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.2 m-20 -59.88 -42.66 94.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 111.326 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -77.04 -41.15 43.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.939 -179.352 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.8 -64.88 1.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 2.9 m-85 -79.81 -17.9 52.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.528 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.7 m120 95.29 141.87 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.606 0 C-N-CA 122.853 0.461 . . . . 0.0 110.249 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 20.5 Cg_endo -60.55 169.39 5.47 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.556 2.17 . . . . 0.0 112.899 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 88' ' ' SER . 13.0 t -117.37 112.73 21.11 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 111.289 0.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 21.5 m95 -88.38 134.35 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.471 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -109.24 131.96 54.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.73 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 47.9 t -137.35 147.29 45.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.314 0.578 . . . . 0.0 112.291 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.627 HG21 ' CE2' ' A' ' 62' ' ' PHE . 41.3 mt -152.13 145.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.803 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 83' ' ' ILE . 46.6 t -150.77 136.0 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 111.474 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.18 -134.35 2.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.007 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.71 ' HA ' HG11 ' C' ' 8' ' ' VAL . 39.4 ptt180 -174.27 39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.634 0.254 . . . . 0.0 111.634 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 1.0 OUTLIER 170.35 79.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.627 ' CE2' HG21 ' A' ' 57' ' ' ILE . 4.7 p90 -173.49 130.97 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -94.15 137.21 13.41 Favored Glycine 0 C--O 1.228 -0.267 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.735 ' HB3' HG23 ' B' ' 57' ' ' ILE . 83.3 p -144.63 147.19 32.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 117.914 0.857 . . . . 0.0 113.253 -178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.475 ' CD2' ' HB2' ' B' ' 40' ' ' ALA . 3.6 t80 -127.67 133.83 49.62 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.609 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.636 HG11 ' CE1' ' A' ' 86' ' ' PHE . 24.9 t -155.87 168.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.608 ' N ' HG12 ' A' ' 66' ' ' VAL . 96.1 m -118.54 146.47 44.54 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CD2' ' HB ' ' C' ' 4' ' ' THR . 30.5 p80 -161.59 141.86 10.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.975 0.417 . . . . 0.0 111.944 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.24 150.48 45.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.764 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.744 HG23 ' N ' ' C' ' 1' ' ' MET . 74.8 p -58.79 151.54 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.859 0.361 . . . . 0.0 111.437 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.668 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.88 38.29 9.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.517 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.497 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 84.4 m-70 -164.79 53.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.7 t80 -162.91 147.37 11.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.252 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.797 HD12 ' CB ' ' A' ' 18' ' ' GLN . 7.8 tt -164.98 141.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.625 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.549 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 43.0 t80 -137.59 131.7 32.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.144 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.0 p90 -160.56 141.05 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.423 . . . . 0.0 111.867 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 5.7 m-85 -77.58 149.72 34.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' A' ' 29' ' ' LEU . 38.7 tp -170.0 140.61 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 111.536 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.6 41.63 74.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.443 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.446 ' O ' HG13 ' A' ' 81' ' ' VAL . 73.1 mt-30 57.31 35.99 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.806 0.336 . . . . 0.0 110.97 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 78' ' ' LEU . 27.1 m -159.18 133.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -72.94 129.9 39.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.34 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 58' ' ' VAL . 51.7 mt -112.32 139.01 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.576 HD21 ' HE2' ' A' ' 86' ' ' PHE . 51.7 tp -127.86 141.74 51.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.458 HD21 ' CE2' ' A' ' 46' ' ' PHE . 58.8 tp -157.73 138.32 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.152 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.636 ' CE1' HG11 ' A' ' 66' ' ' VAL . 11.1 p90 179.24 131.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.504 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.64 170.38 9.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 111.78 -178.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.623 ' O ' HG22 ' A' ' 53' ' ' THR . 46.9 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.688 0.28 . . . . 0.0 111.385 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' B' ' 77' ' ' TYR . 27.7 m -87.02 141.03 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.589 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.496 HG12 ' HB3' ' B' ' 76' ' ' PHE . 21.6 mt -109.96 134.11 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 111.631 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' B' ' 9' ' ' LYS . 7.1 mmpt? -110.91 -36.94 5.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.361 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 73.2 m-80 -132.36 143.71 50.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.48 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.55 140.17 22.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.952 0.406 . . . . 0.0 111.189 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -156.5 53.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 15.4 ptp -166.45 150.75 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.2 m -44.23 146.12 0.7 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.503 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.48 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 65.3 mm-40 -46.27 -42.33 14.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.581 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -63.04 -41.97 99.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.355 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.433 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 80.0 mtp -65.86 -47.8 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.015 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.707 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.6 pt20 -64.7 -38.27 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.437 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.3 pt20 -71.48 -39.5 70.85 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.418 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.423 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.7 t70 -64.44 -38.8 92.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 -44.07 90.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 109.972 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 18' ' ' GLN . 51.2 t -65.41 -45.06 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.325 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 19' ' ' GLN . 56.8 mt-10 -64.33 -45.27 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.555 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . 0.401 ' HB3' HG12 ' B' ' 42' ' ' ILE . 96.7 m -61.23 -36.69 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.883 ' CA ' HD11 ' B' ' 42' ' ' ILE . . . -69.39 -38.2 77.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.262 0.553 . . . . 0.0 109.848 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.6 m -60.98 -44.42 97.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.465 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -60.33 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.369 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.52 ' HB3' HG12 ' B' ' 38' ' ' ILE . . . -55.12 -41.88 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.69 ' CD2' HD11 ' B' ' 38' ' ' ILE . 51.1 mt -63.63 -53.35 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.58 -28.62 67.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.472 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.3 mttt -87.67 -18.55 29.3 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.513 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 56.7 m-85 -146.5 -39.57 0.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' B' ' 32' ' ' TYR . 73.9 m-80 69.33 48.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.833 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.796 HD12 ' OD2' ' B' ' 37' ' ' ASP . 55.1 mt -141.76 125.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -53.76 -52.13 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.575 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -57.16 -55.09 39.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.123 0.487 . . . . 0.0 111.32 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.796 ' OD2' HD12 ' B' ' 34' ' ' ILE . 28.1 m-20 -50.47 -43.23 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.047 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.69 HD11 ' CD2' ' B' ' 29' ' ' LEU . 96.8 mt -50.67 -47.66 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 111.538 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 65' ' ' TYR . . . -62.53 -38.79 91.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.768 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.475 ' HB2' ' CD2' ' A' ' 65' ' ' TYR . . . -65.17 -48.74 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.513 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 68.4 m-70 -64.0 -54.03 40.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.883 HD11 ' CA ' ' B' ' 25' ' ' ALA . 54.2 mt -59.03 -45.36 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.657 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.444 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 14.2 tmtt? -57.89 -53.56 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.052 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.31 -47.91 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.13 -46.98 72.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.618 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 25.6 m-85 -64.97 -41.81 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.2 m-20 -56.53 -37.21 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.166 0.507 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.529 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.4 tmtp? -72.78 -41.38 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.434 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -84.58 -61.38 1.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.0 m-85 -84.63 -18.89 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.2 t30 92.36 135.99 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.442 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 9.8 Cg_endo -52.96 169.31 0.39 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.858 2.372 . . . . 0.0 113.112 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.9 t -114.11 126.84 55.54 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.291 0.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.678 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 25.4 m95 -101.76 130.73 48.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.246 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.485 ' O ' HD12 ' B' ' 85' ' ' LEU . 23.6 m-70 -111.03 141.67 44.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.783 ' C ' HD12 ' B' ' 57' ' ' ILE . 45.6 t -146.77 144.29 29.27 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.466 -178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.783 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.4 mp -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.907 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.501 HG13 HG12 ' B' ' 83' ' ' ILE . 59.5 t -156.87 133.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 110.985 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.39 -138.2 3.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -175.08 34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.633 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 1.0 OUTLIER 168.53 79.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.375 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.694 ' CE2' HG21 ' B' ' 57' ' ' ILE . 5.0 p90 -173.3 133.67 0.51 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.92 0.39 . . . . 0.0 111.793 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -82.43 138.63 18.65 Favored Glycine 0 C--O 1.228 -0.265 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.7 t -140.64 144.91 35.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.202 1.001 . . . . 0.0 113.596 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.802 ' CZ ' ' HB2' ' A' ' 40' ' ' ALA . 12.4 m-85 -137.44 132.94 34.12 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.154 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.807 HG11 ' CE1' ' B' ' 86' ' ' PHE . 32.2 t -157.21 161.71 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-O 120.716 0.293 . . . . 0.0 111.77 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.534 ' N ' HG12 ' B' ' 66' ' ' VAL . 53.7 m -113.27 143.05 45.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -157.27 137.45 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 112.137 -178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -53.99 140.5 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.098 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -54.01 149.61 9.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.418 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 65.48 35.0 7.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.454 ' HB3' ' HG3' ' B' ' 87' ' ' LYS . 62.7 m80 -157.85 69.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.595 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.937 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 6.7 t80 -173.42 147.98 1.54 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.254 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.749 ' O ' HD12 ' B' ' 84' ' ' LEU . 7.9 tt -166.33 134.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.413 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.481 ' O ' HG23 ' B' ' 8' ' ' ILE . 5.1 t80 -120.61 137.11 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.73 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.637 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.7 p90 -168.47 134.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.854 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.528 ' HB2' HG22 ' B' ' 7' ' ' VAL . 69.0 m-85 -80.63 147.4 30.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.705 HD13 ' HB2' ' B' ' 6' ' ' ALA . 39.6 tp -165.45 141.42 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.241 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 41.71 81.03 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.391 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.44 ' O ' HG13 ' B' ' 81' ' ' VAL . 97.6 mm-40 56.12 36.11 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.789 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.476 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.5 m -158.61 131.86 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.823 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -69.73 142.8 53.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.387 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.501 HG12 HG13 ' B' ' 58' ' ' VAL . 58.1 mt -132.79 134.69 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.937 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 46.4 tp -136.02 142.25 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.589 HD21 ' CD2' ' B' ' 46' ' ' PHE . 63.4 tp -147.06 146.19 29.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.807 ' CE1' HG11 ' B' ' 66' ' ' VAL . 8.2 p90 -177.71 139.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.742 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.678 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -106.3 157.11 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.435 . . . . 0.0 111.612 -179.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 43.7 t -125.63 134.55 51.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.748 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.483 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.744 ' N ' HG23 ' A' ' 70' ' ' THR . 26.5 ptt? . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -158.04 150.48 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.485 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.6 p30 -73.37 129.97 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.684 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.477 ' HB ' ' CD2' ' A' ' 68' ' ' HIS . 10.6 t -84.05 135.06 34.57 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.448 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.652 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -129.35 120.52 3.22 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.734 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.776 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.0 pp -162.57 155.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.994 0.425 . . . . 0.0 111.639 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.467 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 25.6 pt20 -154.75 119.04 4.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.942 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.71 HG11 ' HA ' ' A' ' 60' ' ' ARG . 44.5 t . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.695 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.801 0.334 . . . . 0.0 111.443 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.515 HG22 ' HB ' ' B' ' 66' ' ' VAL . 15.0 t -70.52 146.57 50.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.579 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -146.78 126.47 2.46 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.105 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.903 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -160.11 142.59 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 111.712 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.41 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 3.2 tm0? -113.95 90.34 3.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.111 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.474 HG23 HD13 ' D' ' 6' ' ' ILE . 59.6 t -69.58 141.38 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.9 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.647 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.813 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.778 0.323 . . . . 0.0 111.709 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.8 m -90.25 138.79 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.573 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.637 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.8 mp -78.49 147.27 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 31.2 mmmt -132.36 -37.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.619 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -147.58 50.92 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 111.673 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.65 144.35 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.574 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -163.6 57.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.339 . . . . 0.0 111.577 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 ptp -167.97 -174.75 2.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.403 ' HB2' ' HG3' ' A' ' 17' ' ' MET . 58.2 m -58.25 143.61 43.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.455 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.3 pt-20 -53.45 -46.04 69.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.369 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.4 -42.63 99.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.438 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 66.2 mtt -60.2 -50.31 74.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.799 0.333 . . . . 0.0 111.265 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' VAL . 15.8 pt20 -63.18 -39.86 95.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 96.6 mm-40 -66.63 -41.45 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.549 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.78 -36.38 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.568 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.5 t -67.95 -42.6 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.1 t -63.54 -47.69 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.58 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.02 -43.64 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.952 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.4 t -63.73 -33.52 75.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.455 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.699 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.24 -39.24 78.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 109.707 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.7 m -57.67 -48.51 79.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.098 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.14 -36.28 79.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.566 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -57.1 -39.2 74.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.013 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.952 HD23 HD11 ' A' ' 38' ' ' ILE . 58.8 mt -70.07 -45.73 66.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.976 0.417 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.86 -33.55 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.295 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.31 -37.12 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.255 0.55 . . . . 0.0 110.491 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' C ' ' H ' ' A' ' 34' ' ' ILE . 6.2 m-85 -135.78 85.33 2.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.974 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -67.65 24.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.495 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.65 HD12 ' OD2' ' A' ' 37' ' ' ASP . 60.9 mt -114.61 131.58 66.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.34 -51.98 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.659 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HZ2' ' HB3' ' A' ' 36' ' ' LYS . 3.7 ttpm? -59.46 -56.33 23.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.124 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.65 ' OD2' HD12 ' A' ' 34' ' ' ILE . 56.5 m-20 -51.06 -43.19 60.93 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.952 HD11 HD23 ' A' ' 29' ' ' LEU . 65.8 mt -49.1 -53.5 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.091 0.472 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -65.89 -28.11 68.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.941 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.77 -60.68 2.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.504 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.1 -47.13 84.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.556 -178.797 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 25' ' ' ALA . 82.2 mt -57.84 -46.1 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.741 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -58.87 -51.09 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.647 -179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 68.0 mttm -54.23 -44.38 71.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 53.0 mm-40 -57.16 -50.72 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.682 0.277 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.544 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.8 m-85 -66.36 -43.99 84.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 111.467 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 60.7 t0 -54.11 -41.98 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -76.72 -42.63 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.952 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 66.7 mttm -79.01 -70.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.562 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 7.0 m-30 -73.26 -14.57 61.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.562 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.74 146.36 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 C-N-CA 122.959 0.503 . . . . 0.0 110.548 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.443 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 37.0 Cg_endo -67.71 170.18 14.48 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.33 2.02 . . . . 0.0 112.909 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -114.2 126.02 54.59 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 122.626 0.37 . . . . 0.0 110.873 -0.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.544 ' CE2' ' HB3' ' A' ' 46' ' ' PHE . 24.3 m95 -99.08 135.22 40.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.313 0.578 . . . . 0.0 112.449 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 24.2 m-70 -115.03 134.08 55.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.818 ' C ' HD12 ' A' ' 57' ' ' ILE . 49.9 t -137.54 140.74 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 112.428 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.818 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.2 mp -132.66 151.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -155.02 134.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.256 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.27 -134.52 2.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.146 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.0 ptt85 -178.53 38.01 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.668 0.271 . . . . 0.0 111.438 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 165.07 81.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.129 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' A' ' 57' ' ' ILE . 4.0 p90 -170.8 136.85 1.21 Allowed 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.18 143.3 16.5 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.787 ' OG ' HG23 ' B' ' 57' ' ' ILE . 44.9 m -159.09 149.63 19.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' C' ' 3' ' ' ASP . 4.2 t80 -125.99 135.55 51.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.543 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.533 HG11 ' CE2' ' A' ' 86' ' ' PHE . 20.4 t -154.42 164.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.586 0.232 . . . . 0.0 111.514 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.2 m -117.27 153.67 32.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 25.9 p80 -163.86 142.69 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 112.077 -178.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.82 144.89 42.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.96 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.494 HG23 ' H2 ' ' C' ' 1' ' ' MET . 62.0 p -55.39 150.51 11.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.237 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 11.0 mmpt? 62.38 38.58 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.21 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.442 ' CE1' ' HD3' ' A' ' 87' ' ' LYS . 90.9 m-70 -158.51 56.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.622 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.642 ' HE1' HD11 ' A' ' 84' ' ' LEU . 32.9 t80 -155.69 140.55 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.994 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.646 HD12 ' CB ' ' A' ' 18' ' ' GLN . 11.8 tt -165.27 141.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.306 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.634 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 3.7 t80 -139.84 136.11 33.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.872 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.0 p90 -164.67 139.17 5.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.142 0.496 . . . . 0.0 112.17 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.8 m-85 -79.43 153.23 29.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' ' 6' ' ' ALA . 33.5 tp -158.68 131.6 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.008 0.433 . . . . 0.0 112.019 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.95 -65.57 0.19 Allowed Glycine 0 C--N 1.333 0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.02 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' O ' HG13 ' A' ' 81' ' ' VAL . 19.0 pt20 178.95 37.23 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.402 . . . . 0.0 110.028 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.3 m -158.91 137.52 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.634 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.9 137.89 52.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.015 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.427 HD12 ' HE1' ' A' ' 76' ' ' PHE . 57.7 mt -121.2 132.26 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD11 ' HE1' ' A' ' 73' ' ' PHE . 59.0 tp -128.63 139.83 52.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.6 tp -152.39 139.19 18.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.699 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.533 ' CE2' HG11 ' A' ' 66' ' ' VAL . 16.5 p90 -172.53 133.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.325 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 21.0 ptmt -102.59 151.47 22.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 111.048 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.751 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.453 HG23 ' HE2' ' B' ' 9' ' ' LYS . 23.9 m -105.63 138.18 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.282 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.626 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.46 145.05 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.842 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.453 ' HE2' HG23 ' B' ' 7' ' ' VAL . 75.0 mmtt -131.26 -35.48 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.714 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -144.81 54.24 1.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.893 0.378 . . . . 0.0 111.472 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.57 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -56.69 144.85 30.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -167.23 59.38 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.374 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.42 ' CE ' ' HB3' ' B' ' 17' ' ' MET . 50.2 ttp -175.19 163.52 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.711 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.5 m -43.05 138.13 2.21 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.645 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.485 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.0 mt-10 -50.65 -43.98 57.36 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.348 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.42 ' HB3' ' CE ' ' B' ' 13' ' ' MET . 65.1 mtt -66.41 -45.37 80.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.707 0.289 . . . . 0.0 111.259 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.892 ' O ' HG23 ' B' ' 22' ' ' VAL . 17.1 pt20 -66.43 -36.98 84.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.404 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.1 pt20 -71.69 -40.88 69.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.795 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' B' ' 24' ' ' CYS . 1.0 OUTLIER -68.61 -37.06 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.858 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -66.63 -40.91 88.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.88 0.372 . . . . 0.0 110.339 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 18' ' ' GLN . 64.0 t -65.2 -49.86 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.689 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.3 -41.15 90.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.864 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 20' ' ' ASP . 44.9 t -60.94 -32.88 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.545 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.748 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -70.37 -40.86 73.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.198 0.523 . . . . 0.0 109.955 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.515 ' OG1' HD21 ' B' ' 78' ' ' LEU . 90.2 m -59.95 -44.62 94.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.179 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -59.63 -42.44 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.89 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.524 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -54.09 -47.23 71.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.169 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' B' ' 38' ' ' ILE . 61.0 mt -60.82 -44.58 96.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.86 -33.76 76.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.736 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 7.3 ptpp? -85.8 -38.86 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.436 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 48.1 m-85 -119.9 -43.91 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.608 ' O ' HD13 ' B' ' 34' ' ' ILE . 0.8 OUTLIER 64.66 45.02 3.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.959 0.409 . . . . 0.0 110.174 -179.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.608 HD13 ' O ' ' B' ' 33' ' ' ASN . 44.8 mm -147.1 116.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.624 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.8 OUTLIER -42.98 -41.11 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.099 -179.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -62.09 -56.41 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.383 . . . . 0.0 111.337 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -60.68 -40.92 93.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.001 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.827 HD11 ' CD2' ' B' ' 29' ' ' LEU . 90.2 mt -48.18 -59.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.935 0.398 . . . . 0.0 111.574 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.695 ' HB1' ' HB2' ' B' ' 56' ' ' CYS . . . -65.06 -23.07 67.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.15 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -66.51 -63.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.531 ' HA ' ' HD3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -67.43 -42.62 82.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.747 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.748 HD11 ' HA ' ' B' ' 25' ' ' ALA . 82.9 mt -59.73 -47.32 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.653 0.263 . . . . 0.0 111.503 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.458 ' HE2' ' CE1' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -62.57 -52.02 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.868 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' B' ' 41' ' ' HIS . 20.9 ptmt -58.44 -40.18 81.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -58.69 -52.49 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.605 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.577 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 47.8 m-85 -65.13 -45.58 84.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 0.0 110.788 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.449 ' OD2' ' HB3' ' B' ' 52' ' ' PRO . 9.6 t0 -51.04 -39.45 55.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -80.8 -42.85 21.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.0 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -75.09 -58.02 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.9 m-85 -85.85 -12.62 50.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 91.81 143.61 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.414 0 C-N-CA 122.838 0.455 . . . . 0.0 110.336 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.449 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 20.8 Cg_endo -60.99 168.49 7.26 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.44 2.093 . . . . 0.0 112.696 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.466 HG23 ' CE1' ' B' ' 55' ' ' HIS . 12.5 t -117.17 125.96 52.03 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 122.925 0.49 . . . . 0.0 110.961 0.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.792 ' CZ3' HD21 ' B' ' 85' ' ' LEU . 25.7 m95 -97.83 148.83 23.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.013 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.466 ' CE1' HG23 ' B' ' 53' ' ' THR . 11.7 m-70 -134.0 138.51 45.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.171 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.814 ' C ' HD12 ' B' ' 57' ' ' ILE . 83.3 m -143.87 144.46 31.76 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.814 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.3 mp -132.33 144.32 37.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.47 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' B' ' 35' ' ' GLU . 49.0 t -154.19 136.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.907 0.384 . . . . 0.0 111.645 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.09 -138.07 4.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.418 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 85.8 mtm180 -159.42 27.53 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.326 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 10.1 t-20 175.73 77.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.451 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' B' ' 62' ' ' PHE . 11.4 p90 -156.36 138.98 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.455 0.645 . . . . 0.0 112.213 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -120.38 136.23 11.4 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.628 ' HB3' HG23 ' A' ' 57' ' ' ILE . 79.6 p -156.6 156.65 33.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.1 t80 -125.53 133.21 52.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 113.8 -1.545 . . . . 0.0 107.778 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.546 ' HB ' HG22 ' D' ' 4' ' ' THR . 14.0 t -153.24 163.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.723 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.493 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.4 m -115.94 154.3 30.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.4 p80 -164.77 143.13 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.036 0.446 . . . . 0.0 111.685 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -54.5 141.94 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.945 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -53.75 151.41 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.341 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 62.85 39.46 10.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -159.3 69.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.588 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.623 ' HE1' HD11 ' B' ' 84' ' ' LEU . 29.3 t80 -163.82 143.75 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.072 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.41 ' O ' HD12 ' B' ' 84' ' ' LEU . 10.5 tt -163.87 142.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.632 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -141.62 135.55 30.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.434 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.631 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.0 p90 -168.64 143.05 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.068 0.461 . . . . 0.0 111.765 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 4.5 m-85 -82.82 152.11 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.351 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.705 HD13 ' HB2' ' B' ' 6' ' ' ALA . 39.4 tp -170.12 140.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.953 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.01 38.43 60.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 58.42 39.16 25.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 0.0 111.197 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 78' ' ' LEU . 31.6 m -156.4 133.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.944 0.402 . . . . 0.0 111.081 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.505 ' CB ' HG21 ' D' ' 8' ' ' VAL . . . -69.97 134.23 48.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.2 mt -120.37 142.18 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.623 HD11 ' HE1' ' B' ' 73' ' ' PHE . 58.0 tp -138.67 142.62 39.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.792 HD21 ' CZ3' ' B' ' 54' ' ' TRP . 6.4 tt -158.27 145.2 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.545 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 9.3 p90 179.89 136.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.8 ptmt -101.95 170.23 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 42.3 t -147.87 132.22 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.777 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.48 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.494 ' H2 ' HG23 ' A' ' 70' ' ' THR . 81.8 mtp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.494 ' HB3' ' NZ ' ' C' ' 2' ' ' LYS . 8.5 mtpm? -155.54 130.81 9.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.495 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.1 p30 -81.89 123.09 28.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.149 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.47 HG22 ' HB ' ' A' ' 66' ' ' VAL . 10.9 t -88.75 144.1 26.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.927 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.12 135.56 7.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.635 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -151.21 170.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.45 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.553 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.3 pt20 -162.62 69.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.817 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.5 ' HB2' ' CE1' ' B' ' 65' ' ' TYR . 11.9 p-10 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.873 0.368 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.546 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.9 t -85.39 146.68 26.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.651 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -148.85 128.41 2.78 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.372 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.808 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.2 pp -161.47 145.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.423 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.617 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 23.0 pt20 -137.56 85.39 2.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.985 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' B' ' 82' ' ' ALA . 55.2 t -69.87 141.24 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 0.0 110.853 -179.633 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.122 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 26.4 m -100.21 136.26 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 121.029 0.442 . . . . 0.0 111.307 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -97.76 142.85 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.85 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 14.8 ptmm? -148.03 23.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.819 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.561 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 47.0 m-80 -171.47 44.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -63.7 136.91 57.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -158.71 54.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.1 ttp -172.57 164.56 5.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.396 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' A' ' 17' ' ' MET . 64.4 m -42.01 137.74 1.75 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.422 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 94.6 mt-10 -51.06 -48.63 61.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.745 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.52 -42.86 99.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' HB2' ' A' ' 14' ' ' SER . 89.4 mtp -62.83 -48.19 80.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.183 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.813 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.3 pt20 -65.58 -37.73 87.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.857 0.36 . . . . 0.0 110.533 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -64.97 -40.45 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.54 -37.73 83.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -67.11 -42.61 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.878 0.37 . . . . 0.0 110.095 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 18' ' ' GLN . 47.3 t -65.23 -48.08 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.427 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.82 -41.27 87.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.87 -31.86 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.81 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.95 -41.25 74.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.218 0.532 . . . . 0.0 109.956 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.0 m -60.0 -44.5 94.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.301 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.59 -41.01 93.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.045 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.55 -46.23 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.316 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.829 ' CD2' HD11 ' A' ' 38' ' ' ILE . 61.7 mt -62.18 -46.12 90.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.522 . . . . 0.0 111.064 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.15 -33.87 76.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.651 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HE3' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -86.42 -38.17 17.62 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.115 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HE3' ' A' ' 31' ' ' LYS . 40.0 m-85 -119.54 -47.23 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 65.08 46.81 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.911 0.386 . . . . 0.0 110.418 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.6 mt -149.55 134.6 10.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.8 mt-10 -44.93 -59.84 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.936 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' D' ' 7' ' ' GLN . 35.7 ttpt -55.09 -57.49 11.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.225 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.455 ' OD2' HD12 ' A' ' 34' ' ' ILE . 57.4 m-20 -51.23 -44.52 61.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.829 HD11 ' CD2' ' A' ' 29' ' ' LEU . 87.0 mt -51.35 -57.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.04 0.447 . . . . 0.0 111.1 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -67.7 -21.33 65.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.03 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' B' ' 65' ' ' TYR . . . -67.6 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.52 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -69.91 -41.73 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.511 -178.681 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 25' ' ' ALA . 76.6 mt -61.22 -47.88 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.509 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' B' ' 65' ' ' TYR . 35.2 ttpt -61.21 -52.72 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.714 0.292 . . . . 0.0 110.873 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.12 -42.84 81.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.536 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.28 -49.34 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.259 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.505 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.2 m-85 -65.25 -42.98 92.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.695 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 63.4 m-20 -56.4 -36.18 68.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 0.0 111.348 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -82.7 -39.87 21.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.85 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -59.27 2.85 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.538 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 5.6 m-85 -87.52 -17.67 31.54 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.7 m120 96.63 144.54 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 122.952 0.501 . . . . 0.0 110.331 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 27.4 Cg_exo -62.46 167.13 11.88 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.481 2.121 . . . . 0.0 112.968 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.421 HG23 ' CE1' ' A' ' 55' ' ' HIS . 14.8 t -116.25 126.46 53.61 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 0.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.9 m95 -99.81 134.78 42.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.332 0.587 . . . . 0.0 111.997 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 19.7 m-70 -112.16 133.6 54.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.98 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.823 ' C ' HD12 ' A' ' 57' ' ' ILE . 50.0 t -136.48 141.8 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 0.0 112.233 -178.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.5 mp -134.68 149.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.126 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.437 HG11 HD12 ' A' ' 38' ' ' ILE . 48.6 t -155.47 134.98 3.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.061 0.457 . . . . 0.0 111.413 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' HA2' ' OE1' ' A' ' 35' ' ' GLU . . . 173.16 -136.18 3.59 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.216 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.0 ptt85 -179.34 40.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.417 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 169.11 74.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.233 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CZ ' HG21 ' C' ' 8' ' ' VAL . 32.4 p90 -171.54 136.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.994 0.426 . . . . 0.0 111.903 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.75 126.71 7.69 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.1 m -114.02 144.32 43.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 8.3 t80 -151.57 122.46 7.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.586 HG12 ' N ' ' A' ' 67' ' ' THR . 46.8 t -157.0 165.04 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.586 ' N ' HG12 ' A' ' 66' ' ' VAL . 87.2 m -112.45 149.36 32.7 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' C' ' 2' ' ' LYS . 26.4 p80 -161.51 146.84 13.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.264 0.554 . . . . 0.0 112.307 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -59.38 141.77 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.98 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.0 p -55.1 151.96 8.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.444 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.669 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.76 39.1 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.28 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 92.2 m-70 -160.62 62.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.81 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.71 ' HE1' HD11 ' A' ' 84' ' ' LEU . 34.3 t80 -157.23 140.95 15.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.298 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.75 HD12 ' HB2' ' A' ' 18' ' ' GLN . 9.2 tt -164.44 139.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.595 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.642 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 53.4 t80 -136.13 136.55 40.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.604 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.2 p90 -165.27 139.85 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 111.785 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.6 m-85 -75.28 148.68 39.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.77 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' A' ' 6' ' ' ALA . 33.5 tp -170.43 139.68 1.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.902 0.382 . . . . 0.0 111.531 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.432 ' HA3' HD13 ' A' ' 29' ' ' LEU . . . 55.99 42.74 87.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.508 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER 54.11 35.21 21.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 110.686 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 78' ' ' LEU . 26.7 m -158.28 134.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.605 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.642 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.78 131.59 44.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.397 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.455 HD12 ' HB3' ' A' ' 78' ' ' LEU . 54.8 mt -116.44 134.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.484 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.71 HD11 ' HE1' ' A' ' 73' ' ' PHE . 54.7 tp -129.13 143.42 50.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.4 tp -153.65 144.44 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.527 ' CE1' HG11 ' A' ' 66' ' ' VAL . 10.5 p90 178.61 133.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 13.5 ptmm? -98.35 170.34 8.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.063 0.458 . . . . 0.0 111.764 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.701 179.812 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.751 ' HB3' HG13 ' B' ' 22' ' ' VAL . . . . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 120.821 0.343 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.48 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 20.6 m -95.3 136.24 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.417 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.616 ' CG2' ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -80.63 132.04 32.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.75 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -109.44 -34.15 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.053 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -156.24 54.29 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.217 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.616 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -57.01 143.12 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -175.16 62.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.723 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.786 ' O ' ' HB2' ' B' ' 17' ' ' MET . 52.8 ttp -171.2 56.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.544 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 38.3 t 61.26 135.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 111.461 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 56.1 mt-10 -56.7 -51.34 69.19 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.897 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 0.0 110.951 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.786 ' HB2' ' O ' ' B' ' 13' ' ' MET . 87.8 mtp -65.0 -50.63 65.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.702 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.0 pt20 -64.58 -37.08 86.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.545 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.38 -39.97 92.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.802 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.401 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.2 t70 -64.64 -39.61 94.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -65.39 -41.67 93.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.751 HG13 ' HB3' ' B' ' 6' ' ' ALA . 64.6 t -64.39 -47.12 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.28 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.77 -47.22 81.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . 0.435 ' O ' HD11 ' B' ' 42' ' ' ILE . 86.8 m -62.22 -28.37 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.09 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -71.77 -42.43 67.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 109.941 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -59.88 -46.64 88.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.88 -46.75 88.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.775 ' CB ' HG23 ' B' ' 38' ' ' ILE . . . -54.24 -34.71 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.201 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.879 HD23 HD11 ' B' ' 38' ' ' ILE . 61.0 mt -68.31 -52.95 27.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.518 ' HG3' ' CD ' ' B' ' 31' ' ' LYS . 12.3 pt-20 -70.64 -26.28 63.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.728 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.518 ' CD ' ' HG3' ' B' ' 30' ' ' GLU . 0.4 OUTLIER -85.16 -37.67 19.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.767 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' B' ' 32' ' ' TYR . 2.5 m-85 -121.11 -47.23 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 111.669 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' B' ' 33' ' ' ASN . 22.1 t-20 65.57 45.88 2.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.205 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.564 HD12 ' OD2' ' B' ' 37' ' ' ASP . 57.0 mt -152.29 122.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.503 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 58' ' ' VAL . 22.0 pt-20 -47.11 -48.25 23.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.127 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.52 -56.66 15.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.169 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.564 ' OD2' HD12 ' B' ' 34' ' ' ILE . 57.3 m-20 -57.06 -47.72 80.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.879 HD11 HD23 ' B' ' 29' ' ' LEU . 89.0 mt -47.85 -52.81 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.931 0.396 . . . . 0.0 111.721 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.75 -25.09 68.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.97 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -70.11 -58.88 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.556 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -65.59 -46.52 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.504 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' B' ' 25' ' ' ALA . 66.8 mt -61.67 -42.58 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.324 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.525 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 81.7 tttt -59.86 -51.85 67.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -56.68 -44.54 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.04 -46.57 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.474 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.3 m-85 -66.68 -40.78 88.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.543 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.421 ' OD2' ' HG2' ' B' ' 43' ' ' LYS . 57.8 m-20 -57.27 -43.53 83.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 0.0 110.867 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.8 77.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.514 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -79.44 -70.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' B' ' 51' ' ' ASN . 7.3 m-30 -73.84 -14.39 61.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.579 ' HB3' ' O ' ' B' ' 50' ' ' TYR . 23.8 t-20 93.11 140.31 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 122.78 0.432 . . . . 0.0 110.752 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.98 169.28 12.14 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.437 2.091 . . . . 0.0 112.631 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.46 HG23 ' CE1' ' B' ' 55' ' ' HIS . 11.9 t -116.55 127.52 54.59 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 122.931 0.492 . . . . 0.0 110.771 0.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.595 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 27.0 m95 -94.75 126.41 40.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 112.356 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.522 ' O ' HD12 ' B' ' 85' ' ' LEU . 26.7 m-70 -98.83 141.65 31.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.024 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.2 t -148.29 148.6 30.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 112.806 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 58.4 mt -151.39 142.62 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.395 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 45.0 t -150.01 142.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.071 0.463 . . . . 0.0 111.607 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.91 -127.63 1.28 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -174.82 38.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.771 -0.253 . . . . 0.0 111.388 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 164.35 82.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.847 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.518 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 15.2 p90 -164.66 133.89 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.243 0.544 . . . . 0.0 111.913 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -109.35 136.33 13.49 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.539 ' HB3' HG23 ' A' ' 57' ' ' ILE . 80.5 p -161.76 159.44 27.14 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.881 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 25.7 m-85 -126.97 142.04 51.65 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 114.046 -1.433 . . . . 0.0 109.443 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' B' ' 86' ' ' PHE . 24.9 t -155.56 166.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.561 ' N ' HG12 ' B' ' 66' ' ' VAL . 90.4 m -112.97 152.4 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.6 p80 -161.44 140.31 9.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.139 0.495 . . . . 0.0 111.661 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.408 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 17.7 tp10 -56.43 160.45 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.292 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.0 p -55.47 141.91 34.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.907 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.519 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 60.81 21.97 12.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.623 179.47 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 52.1 m170 -124.65 69.79 1.11 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.713 0.292 . . . . 0.0 110.38 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.572 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 19.7 t80 -159.88 138.08 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' B' ' 18' ' ' GLN . 8.6 tt -160.59 141.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.179 0.514 . . . . 0.0 111.706 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.62 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 4.4 t80 -145.63 136.96 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.313 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.632 ' HE1' HD12 ' B' ' 83' ' ' ILE . 7.9 p90 -163.93 140.59 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.053 0.454 . . . . 0.0 111.879 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 14.2 m-85 -81.11 144.52 31.63 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.736 HD22 ' HB2' ' B' ' 6' ' ' ALA . 43.8 tp -170.4 142.09 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 111.598 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.0 40.89 75.3 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.573 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.424 ' O ' HG13 ' B' ' 81' ' ' VAL . 73.3 mt-30 54.63 37.47 28.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 78' ' ' LEU . 28.5 m -157.88 132.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.62 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -72.13 135.06 46.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.189 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.632 HD12 ' HE1' ' B' ' 76' ' ' PHE . 55.4 mt -118.77 141.3 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' B' ' 86' ' ' PHE . 63.0 tp -136.26 140.39 43.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 55' ' ' HIS . 62.5 tp -154.44 145.5 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' B' ' 66' ' ' VAL . 13.0 p90 178.48 130.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.595 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.4 ptmm? -93.06 170.41 9.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.481 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -151.55 133.69 15.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.555 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.545 ' HE2' ' HA ' ' C' ' 1' ' ' MET . 10.2 mmt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.684 0.278 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 47.0 mmtm -79.39 135.05 36.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.091 0.472 . . . . 0.0 111.266 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.557 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 22.5 m-20 -102.44 113.06 26.08 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.628 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' VAL . 42.5 m -73.18 144.44 46.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.154 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.613 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -157.82 123.96 1.34 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.083 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.93 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.7 pp -162.24 142.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.102 0.477 . . . . 0.0 111.721 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 22.2 pt20 -97.41 94.64 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.317 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.74 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 47.7 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.547 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 2.1 p30 . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 121.071 0.462 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.539 HG21 ' CE2' ' B' ' 86' ' ' PHE . 15.3 t -83.97 146.84 27.79 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.628 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -149.79 131.16 3.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.228 -0.987 . . . . 0.0 112.369 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.818 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -160.28 138.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.09 0.471 . . . . 0.0 111.937 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.515 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 22.3 pt20 -117.02 76.73 1.06 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.534 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.407 ' CG2' ' OH ' ' B' ' 75' ' ' TYR . 43.7 t -69.46 138.42 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 35.0 t70 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.727 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.565 0.222 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.512 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 34.0 m -70.6 140.74 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.693 0.283 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 76' ' ' PHE . 20.4 mt -125.67 137.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.077 0.465 . . . . 0.0 112.142 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -113.17 -52.49 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.909 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -101.64 143.99 30.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.129 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.75 51.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.305 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.42 57.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.981 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 53.5 ttp -165.68 160.96 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.237 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -44.38 141.74 1.79 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.607 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.4 pt-20 -53.89 -47.28 71.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.861 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 12.5 pt-20 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.247 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 64.7 mtt -61.96 -48.42 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.748 ' CB ' HD12 ' A' ' 74' ' ' ILE . 15.2 pt20 -63.75 -39.59 94.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 97.1 mm-40 -66.7 -39.55 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.678 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -63.57 -35.61 81.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.683 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.475 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.9 m -67.64 -44.28 78.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.902 0.382 . . . . 0.0 110.178 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG21 HD11 ' A' ' 8' ' ' ILE . 95.7 t -62.66 -46.89 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.655 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.24 -44.18 76.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.201 0.524 . . . . 0.0 110.118 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.6 t -65.71 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.729 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.672 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.75 -38.12 76.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 109.819 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.2 m -60.59 -48.44 81.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.314 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 84.9 mt-30 -58.7 -40.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.91 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.39 -44.91 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.185 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 38' ' ' ILE . 65.6 mt -61.3 -49.57 76.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 pt-20 -68.74 -30.13 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -83.24 -34.11 25.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.884 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -128.28 -45.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.741 -0.384 . . . . 0.0 112.009 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 66.51 45.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.59 HD12 ' OD2' ' A' ' 37' ' ' ASP . 57.3 mt -151.25 124.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 11.7 pm0 -45.73 -44.26 13.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.717 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.452 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 16.7 ttpp -66.78 -53.31 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.0 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.59 ' OD2' HD12 ' A' ' 34' ' ' ILE . 29.1 m-20 -56.0 -45.22 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.383 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 29' ' ' LEU . 89.8 mt -51.87 -52.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -65.38 -28.88 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.173 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -61.21 -48.95 79.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.255 -178.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 25' ' ' ALA . 65.0 mt -58.66 -39.41 76.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 3.3 tppp? -58.14 -52.44 65.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.32 -41.21 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.456 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.0 mm-40 -56.34 -50.37 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 111.164 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.446 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.3 m-85 -69.19 -46.41 67.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 52' ' ' PRO . 28.9 m-20 -55.31 -40.76 71.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 111.252 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -75.42 -42.7 52.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.172 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.0 mtpt -78.48 -70.27 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.555 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 6.9 m-30 -74.0 -14.36 61.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.8 m120 90.92 143.98 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 123.329 0.393 . . . . 0.0 110.364 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 38.0 Cg_endo -66.12 171.86 9.54 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.416 2.077 . . . . 0.0 112.798 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 12.3 t -115.46 123.09 47.71 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 122.649 0.379 . . . . 0.0 110.959 0.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.632 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.9 m95 -93.51 137.67 32.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.054 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 27.1 m-70 -111.38 134.55 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.67 ' O ' HD13 ' A' ' 57' ' ' ILE . 46.5 t -134.47 147.27 50.35 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 56' ' ' CYS . 40.7 mm -147.06 138.1 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.294 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' ALA . 43.9 t -152.5 135.44 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.713 0.292 . . . . 0.0 111.228 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.608 ' O ' HG23 ' A' ' 81' ' ' VAL . . . 177.57 -140.66 4.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.753 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 58.9 mtt85 -159.33 36.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 19.5 t30 165.94 82.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.846 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.473 ' HB3' ' CD2' ' B' ' 62' ' ' PHE . 2.3 p90 -160.43 138.69 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.411 0.624 . . . . 0.0 112.601 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.583 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -120.78 133.76 9.89 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.775 ' HB2' HD13 ' B' ' 57' ' ' ILE . 79.6 p -159.28 167.01 30.02 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.724 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 17.1 m-85 -134.66 144.01 47.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.604 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 6.2 t -156.27 161.84 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.939 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.486 HG23 ' O ' ' C' ' 1' ' ' MET . 92.1 m -117.84 145.57 44.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 28.6 p80 -164.64 147.82 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.144 0.497 . . . . 0.0 112.083 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -58.16 141.93 48.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.023 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.0 p -56.15 154.15 8.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.414 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 71' ' ' LYS . 0.6 OUTLIER 61.7 40.88 12.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.486 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.432 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 91.2 m-70 -159.51 48.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.934 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 8.2 t80 -157.88 146.88 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.448 . . . . 0.0 111.505 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.748 HD12 ' CB ' ' A' ' 18' ' ' GLN . 7.4 tt -161.48 145.25 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.672 ' CD2' HD13 ' A' ' 84' ' ' LEU . 2.2 t80 -138.9 134.92 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' A' ' 83' ' ' ILE . 9.3 p90 -165.44 142.16 5.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.512 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 4.2 m-85 -94.56 145.69 24.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.65 178.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.727 HD13 ' HB2' ' A' ' 6' ' ' ALA . 31.1 tp -151.53 139.02 19.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.035 0.445 . . . . 0.0 111.841 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.551 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 66.35 -64.57 0.16 Allowed Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.267 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' LEU . 17.3 pt20 178.63 37.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.771 0.32 . . . . 0.0 110.261 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -158.05 144.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -80.52 135.2 36.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.594 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.526 HD12 ' HE1' ' A' ' 76' ' ' PHE . 57.0 mt -125.01 143.24 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 75' ' ' TYR . 56.9 tp -137.17 140.0 41.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.933 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.475 HD23 ' OG ' ' A' ' 21' ' ' SER . 55.0 tp -157.44 136.57 11.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.49 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.532 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.4 p90 -172.88 127.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.632 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 22.1 ptmt -92.72 167.41 11.9 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.1 0.476 . . . . 0.0 111.644 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.641 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.776 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.695 0.283 . . . . 0.0 111.615 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 29.8 m -101.62 137.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.732 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.628 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -82.94 144.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -128.76 -35.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.825 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -147.49 49.49 1.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 111.733 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -61.66 136.02 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.559 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -158.47 62.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 0.0 111.443 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.472 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 21.9 ptm -170.89 -174.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.1 m -55.65 136.84 50.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.469 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 55.8 mt-10 -54.98 -44.97 74.94 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.359 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.518 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -61.57 -41.74 97.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.257 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.472 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 66.3 mtt -65.7 -46.3 79.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.269 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.839 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.5 pt20 -66.46 -38.25 86.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.5 pt20 -72.42 -37.7 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.468 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.6 -37.77 77.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . 0.432 ' OG ' HD23 ' B' ' 85' ' ' LEU . 47.8 t -67.53 -43.64 80.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.051 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 18' ' ' GLN . 67.7 t -64.32 -47.17 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.11 -42.35 84.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.046 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -64.41 -33.95 77.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.652 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.713 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.47 -39.05 77.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 109.905 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.505 ' OG1' HD21 ' B' ' 78' ' ' LEU . 86.9 m -60.3 -45.06 94.68 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.173 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.42 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 25.6 mt-30 -60.37 -42.82 96.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.117 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.68 -42.53 75.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.194 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.782 ' CD2' HD11 ' B' ' 38' ' ' ILE . 50.2 mt -63.59 -48.64 76.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.573 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 11.9 pt-20 -68.64 -29.23 67.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.4 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -86.69 -36.41 18.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -113.8 -43.14 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 66.13 38.06 4.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 110.39 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.9 mt -153.75 123.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.555 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.71 ' HA ' HD12 ' B' ' 38' ' ' ILE . 15.2 pt-20 -47.19 -43.71 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.909 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -54.63 -57.44 11.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.911 0.386 . . . . 0.0 111.787 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.11 -40.2 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.057 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.782 HD11 ' CD2' ' B' ' 29' ' ' LEU . 81.2 mt -50.05 -59.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.778 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' ' 43' ' ' LYS . . . -65.66 -27.56 68.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.724 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -66.85 -63.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.53 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.62 -45.67 85.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.468 -178.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' B' ' 25' ' ' ALA . 83.0 mt -59.54 -41.6 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.783 0.325 . . . . 0.0 111.26 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.49 ' HB3' ' NZ ' ' B' ' 43' ' ' LYS . 5.2 ttpm? -60.41 -54.88 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.338 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.1 pttp -59.31 -39.54 83.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.293 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -56.09 -50.39 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.426 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.476 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 35.0 m-85 -64.57 -44.33 91.05 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.3 m-20 -61.08 -36.67 80.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 111.177 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 4.4 tmtt? -71.61 -43.89 65.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.012 0.435 . . . . 0.0 111.397 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.23 -59.35 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.5 m-85 -80.8 -21.49 40.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.665 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 61.2 m-20 92.7 140.91 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.39 0 C-N-CA 122.593 0.357 . . . . 0.0 110.181 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.85 167.82 1.4 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.419 2.079 . . . . 0.0 112.852 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.724 HG22 ' O ' ' B' ' 88' ' ' SER . 11.8 t -117.34 121.23 40.55 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 122.607 0.363 . . . . 0.0 111.236 0.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.672 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.4 m95 -98.38 134.32 41.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.239 0.542 . . . . 0.0 112.186 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.482 ' O ' HD12 ' B' ' 85' ' ' LEU . 21.6 m-70 -112.88 139.53 48.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.135 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 64' ' ' SER . 52.6 t -140.9 140.08 34.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 0.0 112.273 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 64' ' ' SER . 38.2 mm -131.83 144.05 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.93 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 49.1 t -155.96 140.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 121.015 0.436 . . . . 0.0 111.75 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.76 -143.57 7.4 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.608 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.532 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 84.8 mtm180 -161.04 31.16 0.14 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 168.16 81.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.202 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.4 p90 -169.09 148.08 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 112.302 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.47 133.33 11.38 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 59.4 m -122.94 146.85 47.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.439 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 9.7 t80 -150.24 125.74 10.22 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.927 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' B' ' 86' ' ' PHE . 47.8 t -157.85 163.69 1.22 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.352 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.565 ' N ' HG12 ' B' ' 66' ' ' VAL . 86.3 m -112.57 151.9 29.5 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.423 ' CD2' ' OG1' ' D' ' 4' ' ' THR . 27.3 p80 -165.49 138.98 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.065 0.459 . . . . 0.0 111.624 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.47 158.01 27.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.602 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.8 p -56.44 151.99 12.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 111.76 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 63.97 37.37 9.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.229 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.503 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.0 m-70 -163.06 69.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.097 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.653 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 13.3 t80 -165.18 131.91 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.576 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.668 ' O ' HD12 ' B' ' 84' ' ' LEU . 12.3 tt -156.38 140.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.229 0.538 . . . . 0.0 111.913 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.492 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 54.0 t80 -142.54 139.72 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.468 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.674 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.6 p90 -168.9 143.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.148 0.499 . . . . 0.0 111.885 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -81.76 148.42 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.295 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.776 HD13 ' HB2' ' B' ' 6' ' ' ALA . 27.5 tp -167.06 139.11 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.194 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.459 ' HA3' HD13 ' B' ' 29' ' ' LEU . . . 55.2 39.51 71.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 57.81 36.07 26.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.789 0.328 . . . . 0.0 111.074 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.631 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.9 m -153.04 133.78 4.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.003 0.43 . . . . 0.0 110.867 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.492 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.88 135.82 49.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' B' ' 78' ' ' LEU . 58.0 mt -127.22 138.76 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.668 HD12 ' O ' ' B' ' 74' ' ' ILE . 61.2 tp -134.52 141.9 46.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.438 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.528 ' O ' HG22 ' B' ' 74' ' ' ILE . 57.0 tp -156.76 144.49 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.391 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.653 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 8.1 p90 176.67 136.36 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.701 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.672 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.7 ptmm? -91.59 170.22 10.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.153 0.502 . . . . 0.0 111.562 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.724 ' O ' HG22 ' B' ' 53' ' ' THR . 44.8 t -142.19 128.72 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.805 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.481 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 67' ' ' THR . 68.2 mtm . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.88 0.371 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.06 130.89 44.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -78.75 109.48 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.307 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.54 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.7 t -71.23 145.71 49.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.238 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.65 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -146.91 123.16 1.72 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.966 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.832 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.4 pp -162.18 148.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 111.805 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.583 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 3.0 pp0? -147.17 145.72 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 50.5 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.504 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.557 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.3 t0 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 111.655 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.483 ' N ' ' O ' ' B' ' 66' ' ' VAL . 31.9 m -71.22 144.4 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.221 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.529 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -155.24 127.93 2.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.444 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.893 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -160.3 142.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -117.4 139.21 51.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -137.57 146.44 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.025 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.42 ' HA ' ' ND2' ' B' ' 61' ' ' ASN . 12.2 p-10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.805 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.707 0.289 . . . . 0.0 111.477 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.0 m -87.78 139.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.528 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.653 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -96.85 125.69 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.18 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -92.22 -38.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.697 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -168.59 135.88 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.224 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -155.95 136.18 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 111.887 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' PHE . 55.6 m-20 -122.54 54.36 1.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.989 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.437 ' HE2' ' CA ' ' A' ' 72' ' ' HIS . 43.7 ttm -138.1 153.84 49.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.904 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.3 m -45.15 141.14 2.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.501 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 95.1 mt-10 -53.42 -46.96 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.804 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.49 -43.98 96.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.431 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 61.2 mtt -60.02 -50.05 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.396 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.865 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.0 pt20 -59.44 -36.66 76.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.252 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.5 mm100 -62.73 -42.84 99.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.118 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.21 -36.05 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.546 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -67.32 -41.43 85.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.3 t -62.85 -50.69 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.263 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.38 -44.74 90.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.804 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.04 -32.05 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.741 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.35 -40.52 77.46 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.833 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -57.79 -44.65 86.43 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.909 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.45 -40.52 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.579 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.911 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -51.96 -48.44 64.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.58 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 61.2 mt -59.07 -52.22 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.286 0.565 . . . . 0.0 110.665 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.58 -30.46 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.145 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 98.4 mttt -81.16 -38.52 27.0 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 7.3 m-85 -139.11 -56.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.58 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 43.2 t30 63.89 50.66 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.528 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 34' ' ' ILE . 46.4 mt -136.09 30.34 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 59.17 -70.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.007 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' ILE . 18.3 ttpp -58.74 -53.91 53.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.123 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -52.71 -40.79 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.911 HG23 ' CB ' ' A' ' 28' ' ' ALA . 62.6 mt -54.68 -50.44 59.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -66.71 -30.27 70.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.929 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -63.44 -55.55 23.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.49 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.76 -45.15 68.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.854 0.359 . . . . 0.0 111.826 -178.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 ' HA ' ' A' ' 25' ' ' ALA . 68.8 mt -63.21 -47.26 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.776 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -61.97 -52.69 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.313 -179.01 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -57.69 -34.85 69.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.598 -179.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 44.6 tt0 -63.78 -52.16 61.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.555 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.568 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 48.9 m-85 -65.87 -44.45 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 13.3 t70 -52.2 -44.84 64.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -79.46 -44.2 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.134 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -72.14 -65.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.6 m-85 -79.76 -11.18 59.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.253 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.15 145.08 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.787 0.435 . . . . 0.0 110.431 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.487 ' HB3' ' OD1' ' A' ' 47' ' ' ASP . 39.9 Cg_endo -66.39 168.26 16.66 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.498 2.132 . . . . 0.0 113.043 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.517 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.6 t -115.71 125.4 52.76 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 122.634 0.374 . . . . 0.0 110.671 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.616 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.1 m95 -97.82 131.42 44.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.256 0.551 . . . . 0.0 112.089 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.512 ' CE1' HG23 ' A' ' 53' ' ' THR . 17.0 m-70 -111.07 137.53 48.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.312 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.527 ' HB2' HD13 ' A' ' 85' ' ' LEU . 51.1 t -141.32 150.16 42.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 112.274 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 62' ' ' PHE . 51.5 mt -149.12 147.62 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.837 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -153.92 137.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.151 0.5 . . . . 0.0 111.614 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.9 -137.45 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.921 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.634 ' HA ' HG11 ' C' ' 8' ' ' VAL . 0.0 OUTLIER -177.27 37.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 169.28 70.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.308 179.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' CG ' ' HB3' ' B' ' 62' ' ' PHE . 20.8 p90 -168.28 133.96 1.85 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.19 141.64 30.4 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.405 ' OG ' ' CE2' ' A' ' 62' ' ' PHE . 59.6 m -136.2 143.78 44.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.668 0.734 . . . . 0.0 112.938 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 7.0 t80 -146.9 134.26 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.935 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 86' ' ' PHE . 30.1 t -155.72 166.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.725 0.298 . . . . 0.0 111.565 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 66' ' ' VAL . 99.7 m -130.05 140.58 50.83 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -153.52 154.2 33.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.962 0.411 . . . . 0.0 111.634 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 70' ' ' THR . 5.3 tp10 -57.29 -110.48 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 69' ' ' GLU . 60.1 p -163.46 159.24 21.95 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 112.056 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 6.9 mmpt? 66.55 39.76 3.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.449 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.509 ' HB2' ' HG2' ' A' ' 87' ' ' LYS . 3.5 p80 -175.56 51.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.052 0.453 . . . . 0.0 111.819 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.725 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.0 t80 -130.51 140.53 50.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.974 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.706 HD12 ' CB ' ' A' ' 18' ' ' GLN . 10.7 tt -163.2 131.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.391 0.615 . . . . 0.0 111.953 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.595 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 38.6 t80 -129.06 133.83 47.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.346 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 1.6 p90 -165.17 138.66 4.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.111 0.482 . . . . 0.0 112.261 -178.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.643 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 4.4 m-85 -85.79 156.03 20.77 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.621 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' A' ' 6' ' ' ALA . 54.9 tp -154.7 132.85 11.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.51 -64.79 0.17 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.954 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . 25.8 pt20 179.43 38.22 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.883 0.373 . . . . 0.0 110.122 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.6 m -156.91 131.81 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . . . -69.91 139.71 52.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -125.52 131.81 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.515 HD21 ' HE2' ' A' ' 86' ' ' PHE . 53.1 tp -126.12 140.32 52.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 56' ' ' CYS . 64.4 tp -158.64 141.87 14.86 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.881 0.372 . . . . 0.0 111.312 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.725 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 4.7 p90 176.78 139.97 0.07 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 64.0 pttt -95.64 170.29 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.102 0.477 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 53' ' ' THR . 43.4 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.728 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.99 ' HB2' HD22 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.695 0.283 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.6 m -93.26 136.02 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 111.586 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.614 ' CG2' ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -77.4 133.95 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.049 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' B' ' 9' ' ' LYS . 3.5 mmmp? -119.68 -29.94 4.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.055 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -150.85 50.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.596 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -60.6 143.93 52.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -170.97 53.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.412 ' CE ' ' HB3' ' B' ' 17' ' ' MET . 55.3 ttp -169.25 162.91 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.694 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -40.59 138.01 1.04 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 111.621 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.401 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 52.4 mm-40 -53.99 -43.66 70.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.671 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -62.41 -40.65 97.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.412 ' HB3' ' CE ' ' B' ' 13' ' ' MET . 65.5 mtt -65.13 -50.86 64.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.016 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.816 ' O ' HG23 ' B' ' 22' ' ' VAL . 19.9 pt20 -66.47 -38.29 87.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.621 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -68.93 -38.86 79.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.595 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.01 -39.27 94.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -68.58 -41.11 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.888 0.375 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.869 HG22 ' CE2' ' B' ' 76' ' ' PHE . 48.0 t -64.63 -45.98 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.401 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -46.83 71.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.231 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 88.1 m -67.34 -28.73 68.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.16 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.914 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -72.46 -41.08 66.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.081 0.467 . . . . 0.0 109.988 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 86.7 m -61.88 -46.42 89.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.461 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 85.4 mt-30 -60.7 -40.61 92.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.076 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.662 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -55.87 -44.35 78.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.212 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.886 ' CD2' HD11 ' B' ' 38' ' ' ILE . 59.7 mt -64.36 -41.58 96.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -65.59 -36.93 85.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.628 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 61.0 pttt -89.76 -36.36 15.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HE3' ' B' ' 31' ' ' LYS . 44.7 m-85 -111.1 -45.25 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.57 45.36 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.298 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.519 ' O ' HG13 ' B' ' 38' ' ' ILE . 58.2 mt -148.77 123.72 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' B' ' 38' ' ' ILE . 13.1 pt-20 -46.74 -44.68 19.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.009 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.502 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.9 ttpm? -61.66 -57.33 12.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.936 0.398 . . . . 0.0 111.566 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.21 -43.59 64.31 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.239 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.886 HD11 ' CD2' ' B' ' 29' ' ' LEU . 82.4 mt -47.32 -58.23 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.091 0.472 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' B' ' 43' ' ' LYS . . . -66.86 -23.74 66.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.074 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -63.93 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.848 0.356 . . . . 0.0 111.883 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.662 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.7 OUTLIER -68.52 -45.72 71.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 -179.078 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.914 HD11 ' HA ' ' B' ' 25' ' ' ALA . 69.1 mt -56.75 -46.11 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.583 ' NZ ' ' HA ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -63.81 -49.65 72.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.86 -179.622 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.15 -45.09 83.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.637 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 97.3 mt-10 -59.04 -47.2 86.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' B' ' 42' ' ' ILE . 4.7 m-85 -65.17 -45.41 84.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.687 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.1 m-20 -60.0 -33.53 72.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 4.5 tmtt? -80.48 -42.7 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 97.4 mttt -78.53 -60.53 2.34 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.12 -17.99 38.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 93.28 144.03 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.42 0 C-N-CA 122.696 0.398 . . . . 0.0 110.065 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' B' ' 47' ' ' ASP . 34.1 Cg_exo -61.36 170.53 5.17 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.306 2.004 . . . . 0.0 112.626 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.59 HG22 ' HB3' ' B' ' 88' ' ' SER . 9.7 t -118.16 116.13 26.21 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 111.051 0.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.719 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -91.57 147.31 23.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.959 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' B' ' 85' ' ' LEU . 20.5 m-70 -125.2 137.03 54.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.738 ' O ' HD13 ' B' ' 57' ' ' ILE . 51.2 t -143.0 147.07 34.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.25 0.548 . . . . 0.0 112.074 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.738 HD13 ' O ' ' B' ' 56' ' ' CYS . 35.0 mm -143.75 144.77 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 61.1 t -150.68 132.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.101 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.88 -136.87 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.65 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 86.1 mtm180 -158.74 30.04 0.22 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.544 0.212 . . . . 0.0 111.546 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 164.87 83.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.589 ' HB3' ' CG ' ' A' ' 62' ' ' PHE . 3.5 p90 -155.63 133.28 11.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -96.99 147.72 18.77 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.41 ' HB3' HG23 ' A' ' 57' ' ' ILE . 81.5 p -159.04 150.43 20.4 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.15 0.975 . . . . 0.0 113.226 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.0 t80 -139.61 132.18 28.76 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.586 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.558 ' HB ' HG22 ' D' ' 4' ' ' THR . 35.4 t -155.69 165.94 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.43 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.556 ' N ' HG12 ' B' ' 66' ' ' VAL . 87.6 m -118.51 149.39 41.38 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 28.1 p80 -164.58 145.86 8.1 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.972 0.415 . . . . 0.0 111.956 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.411 ' HG3' ' ND1' ' B' ' 72' ' ' HIS . 16.1 pt-20 -62.12 150.58 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.775 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.5 p -56.27 150.7 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.5 mmpt? 66.97 36.53 4.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.43 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.9 m80 -157.4 69.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.659 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.682 ' HE1' HD11 ' B' ' 84' ' ' LEU . 27.8 t80 -165.55 134.8 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.445 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.863 HD11 ' HD2' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -157.35 141.4 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.128 0.489 . . . . 0.0 111.63 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.749 ' N ' HD13 ' B' ' 74' ' ' ILE . 4.1 t80 -147.72 146.64 29.32 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.863 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.869 ' CE2' HG22 ' B' ' 22' ' ' VAL . 3.6 p90 -167.02 146.04 5.21 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.109 0.48 . . . . 0.0 111.897 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -92.47 141.56 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.956 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.99 HD22 ' HB2' ' B' ' 6' ' ' ALA . 57.0 tp -168.44 145.68 3.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 111.688 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.14 39.41 70.3 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.487 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' B' ' 80' ' ' GLN . 0.4 OUTLIER 55.29 38.18 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.811 0.339 . . . . 0.0 110.758 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.5 m -156.93 132.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.737 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -73.2 141.57 47.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.235 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.613 HD12 ' HE1' ' B' ' 76' ' ' PHE . 57.0 mt -132.52 142.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.604 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.782 HD12 ' O ' ' B' ' 74' ' ' ILE . 65.1 tp -143.03 145.63 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.709 HD21 ' CE3' ' B' ' 54' ' ' TRP . 5.4 tt -159.48 141.08 13.09 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.394 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.538 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.9 p90 -178.61 131.67 0.13 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.719 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 17.8 ptpt -81.99 156.9 24.44 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.59 ' HB3' HG22 ' B' ' 53' ' ' THR . 26.2 t -71.43 -152.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.72 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.422 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.534 ' CB ' HG22 ' A' ' 67' ' ' THR . 66.6 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.825 0.345 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -82.39 129.91 34.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -83.47 123.2 29.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.381 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 66' ' ' VAL . 8.9 t -86.27 132.4 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.294 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.481 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -119.52 126.36 6.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.481 HG23 ' O ' ' C' ' 5' ' ' GLY . 46.8 pt -161.54 170.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.021 0.438 . . . . 0.0 111.276 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -158.79 119.35 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.526 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.634 HG11 ' HA ' ' A' ' 60' ' ' ARG . 22.2 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 11.0 p-10 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.853 0.359 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.558 HG22 ' HB ' ' B' ' 66' ' ' VAL . 11.1 t -79.81 142.33 35.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.32 132.37 5.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.686 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.523 HD13 HD22 ' B' ' 84' ' ' LEU . 50.6 pt -153.38 168.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.972 0.415 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.493 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 3.0 pt20 -162.66 69.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.883 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.3 138.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 29.5 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.534 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.772 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.464 0.258 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG22 ' HB2' ' A' ' 77' ' ' TYR . 21.7 m -100.67 138.54 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.066 0.46 . . . . 0.0 111.719 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.7 mp -99.31 147.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.497 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -141.22 -47.5 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.1 m120 -103.21 48.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 111.233 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -61.9 128.6 36.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.82 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.01 58.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.474 ' HG2' ' HB2' ' A' ' 17' ' ' MET . 54.3 ttp -178.24 158.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 57.8 m -38.39 140.43 0.31 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.876 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 50.5 mt-10 -51.86 -48.6 63.95 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.84 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.55 -42.74 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.945 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.474 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 65.4 mtt -60.88 -49.64 76.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.641 ' CB ' HD12 ' A' ' 74' ' ' ILE . 14.5 pt20 -62.81 -40.93 98.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.855 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.33 -40.05 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.079 0.466 . . . . 0.0 110.186 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.518 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 38.2 t70 -64.0 -38.6 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.739 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.529 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.1 m -64.43 -46.35 83.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.135 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 18' ' ' GLN . 77.4 t -59.63 -47.5 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.077 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -68.06 -44.66 75.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.97 0.415 . . . . 0.0 110.177 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.8 -33.4 75.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.918 ' HB2' HD11 ' A' ' 42' ' ' ILE . . . -70.3 -39.92 74.54 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.383 0.611 . . . . 0.0 109.742 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.5 m -59.74 -47.12 86.93 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.611 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.57 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 41.5 tt0 -57.94 -49.17 77.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.895 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -49.74 -41.19 43.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.797 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 38' ' ' ILE . 56.6 mt -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.598 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.96 -25.32 67.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.066 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.57 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 4.7 mptp? -78.32 -32.06 49.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.958 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.49 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 51.8 m-85 -144.72 -39.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.666 ' O ' HD13 ' A' ' 34' ' ' ILE . 73.4 m-80 73.35 48.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.455 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 33' ' ' ASN . 49.4 mm -143.06 129.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.63 -41.49 42.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.494 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' H ' HG22 ' A' ' 34' ' ' ILE . 35.8 ttpt -62.9 -56.12 20.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.003 0.43 . . . . 0.0 111.22 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -53.82 -43.62 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.17 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.922 HD11 HD21 ' A' ' 29' ' ' LEU . 78.1 mt -47.29 -44.75 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 111.044 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.822 ' HB1' ' HB2' ' A' ' 56' ' ' CYS . . . -60.97 -38.18 85.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.069 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.36 82.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.661 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CD2' ' CB ' ' A' ' 28' ' ' ALA . 73.5 m-70 -60.29 -57.18 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.999 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.918 HD11 ' HB2' ' A' ' 25' ' ' ALA . 68.5 mt -61.99 -35.9 70.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.221 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 11.3 tmtt? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 45' ' ' GLU . 65.0 pttt -63.28 -46.99 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.7 tp10 -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 111.419 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 4.9 m-85 -78.37 -42.59 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -60.26 -34.22 73.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.024 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.72 -41.03 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.983 0.421 . . . . 0.0 111.172 -179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -80.7 -58.11 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.9 m-85 -88.36 -14.12 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 65.7 m-20 94.86 143.69 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 C-N-CA 122.859 0.464 . . . . 0.0 110.544 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 43.7 Cg_endo -67.64 169.22 16.37 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.639 2.226 . . . . 0.0 113.046 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' THR . 13.0 t -116.77 123.0 46.08 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.715 0.406 . . . . 0.0 110.972 0.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.685 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.7 m95 -92.8 127.79 38.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 111.723 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 32.6 m-70 -93.9 131.69 39.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.517 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.822 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 79.3 m -122.83 141.19 52.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.216 0.531 . . . . 0.0 112.073 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 56' ' ' CYS . 39.6 mm -147.18 137.51 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.501 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.411 HG11 HD12 ' A' ' 38' ' ' ILE . 45.9 t -152.59 135.43 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.838 0.351 . . . . 0.0 111.232 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.33 -131.54 1.83 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.252 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 24.1 ptt-85 -175.53 38.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER 167.68 80.7 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 14.3 p90 -162.06 135.84 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.549 0.69 . . . . 0.0 112.416 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -110.07 139.83 15.57 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.681 ' HB3' HG23 ' B' ' 57' ' ' ILE . 71.0 p -158.07 151.32 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.215 1.008 . . . . 0.0 113.603 -178.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CD2' ' HD3' ' B' ' 43' ' ' LYS . 35.4 t80 -126.56 131.45 51.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.057 178.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 67' ' ' THR . 21.9 t -153.57 168.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.588 ' N ' HG12 ' A' ' 66' ' ' VAL . 77.7 m -119.35 144.88 46.62 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -159.21 150.67 20.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.268 0.556 . . . . 0.0 112.198 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.5 152.91 10.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.28 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.536 HG22 ' HE3' ' C' ' 2' ' ' LYS . 70.2 p -57.19 142.69 41.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.148 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 71' ' ' LYS . 12.1 mptt 57.62 25.3 11.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.956 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.459 ' ND1' ' HG3' ' A' ' 87' ' ' LYS . 45.1 m170 -123.8 54.98 1.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.748 0.309 . . . . 0.0 110.836 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.828 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 7.8 t80 -166.38 148.38 6.7 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.641 HD12 ' CB ' ' A' ' 18' ' ' GLN . 8.5 tt -166.24 130.43 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-O 121.12 0.486 . . . . 0.0 111.93 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.536 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 48.2 t80 -113.12 140.98 47.44 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.444 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.5 p90 -168.73 138.15 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 111.777 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.504 ' HB2' HG22 ' A' ' 7' ' ' VAL . 9.8 m-85 -79.51 145.84 33.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.742 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' A' ' 6' ' ' ALA . 37.2 tp -170.34 139.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.587 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.469 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 55.63 43.21 86.12 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.621 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.2 mm100 54.61 34.67 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.704 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.6 m -158.5 131.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.549 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.501 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.94 123.32 21.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.563 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.528 HD13 ' HB1' ' A' ' 25' ' ' ALA . 53.7 mt -100.51 149.16 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.582 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.828 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 63.4 tp -142.99 140.79 31.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 42' ' ' ILE . 62.9 tp -150.35 138.94 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.447 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.515 ' HE2' HG11 ' A' ' 66' ' ' VAL . 5.1 p90 -173.14 120.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.685 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -86.06 170.18 12.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.224 0.535 . . . . 0.0 111.6 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.741 179.619 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.643 0.258 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.7 m -97.47 138.29 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 111.899 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.859 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -81.94 145.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.518 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -129.64 -39.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.443 HD21 HG21 ' D' ' 6' ' ' ILE . 75.3 m-80 -133.91 53.23 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.37 . . . . 0.0 111.227 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.859 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -57.27 137.49 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.0 t70 -175.41 53.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.37 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' B' ' 72' ' ' HIS . 51.2 ttm -168.69 151.97 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.369 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -40.97 139.89 0.82 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 111.896 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.454 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 16.7 pt-20 -51.21 -43.37 61.4 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.77 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.11 -42.59 98.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.109 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtt -64.93 -50.77 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.988 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.847 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.3 pt20 -64.37 -37.64 88.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.514 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -69.39 -41.96 75.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.547 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -68.04 -36.6 80.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.485 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 t -64.68 -44.0 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 18' ' ' GLN . 59.5 t -63.56 -46.37 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.19 -45.1 86.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.51 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.75 -35.12 78.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.068 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.883 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.31 -37.64 77.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.222 0.535 . . . . 0.0 109.91 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -61.75 -46.02 91.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.627 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -58.86 -46.86 86.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.31 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.8 ' HB3' HG23 ' B' ' 38' ' ' ILE . . . -54.78 -41.43 70.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.678 HD23 HD11 ' B' ' 38' ' ' ILE . 36.1 mt -61.85 -48.27 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.386 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -66.42 -32.54 73.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.048 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.55 ' HG3' ' CD2' ' B' ' 32' ' ' TYR . 0.1 OUTLIER -87.46 -29.27 21.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.717 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.598 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 43.7 m-85 -133.08 -49.16 0.86 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.45 -0.5 . . . . 0.0 112.293 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.626 ' O ' HD13 ' B' ' 34' ' ' ILE . 49.5 t30 69.45 49.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 33' ' ' ASN . 48.0 mm -136.13 134.47 50.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.535 ' CD ' HG12 ' B' ' 58' ' ' VAL . 3.9 mm-40 -54.36 -55.35 29.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' B' ' 36' ' ' LYS . 3.3 tmmm? -69.86 -48.87 57.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.557 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.3 m-20 -57.4 -47.42 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 111.633 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.8 HG23 ' HB3' ' B' ' 28' ' ' ALA . 96.9 mt -55.55 -45.96 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.407 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.98 73.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -65.7 -48.16 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.086 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.598 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 13.9 m-70 -61.82 -51.54 67.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.447 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.883 HD11 ' HA ' ' B' ' 25' ' ' ALA . 60.8 mt -56.27 -45.4 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.542 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.508 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 86.9 tttt -58.18 -52.7 64.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.954 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -55.99 -44.22 78.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.1 -47.85 80.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.621 0.248 . . . . 0.0 111.158 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' B' ' 85' ' ' LEU . 30.7 m-85 -65.19 -43.49 91.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.689 0.281 . . . . 0.0 111.587 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.56 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.3 m-20 -56.02 -36.95 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 110.717 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.3 tmtp? -72.55 -40.11 66.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.167 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -81.96 -62.79 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 15.6 m-85 -90.13 -17.25 28.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' B' ' 47' ' ' ASP . 57.9 m-20 91.64 142.47 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.37 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 51.0 Cg_exo -52.95 170.77 0.27 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 112.839 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.732 HG22 ' O ' ' B' ' 88' ' ' SER . 11.1 t -119.18 110.75 17.4 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 122.782 0.433 . . . . 0.0 111.328 0.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.741 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 23.0 m95 -86.95 117.99 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.232 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -91.12 134.27 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 37.6 t -131.3 149.9 52.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 112.364 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.681 HG23 ' HB3' ' A' ' 64' ' ' SER . 51.8 mt -148.41 149.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.106 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.535 HG12 ' CD ' ' B' ' 35' ' ' GLU . 45.6 t -156.35 138.76 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.025 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.48 -135.2 2.56 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.948 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.6 ptt180 -176.5 32.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.592 ' HA ' ' HA ' ' D' ' 9' ' ' ASP . 39.1 t30 167.14 82.56 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 110.368 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.623 ' HE2' HG21 ' B' ' 57' ' ' ILE . 6.1 p90 -172.55 134.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.731 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.17 136.64 17.18 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 87.4 p -125.21 150.61 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.427 0.613 . . . . 0.0 112.259 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.431 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 24.8 t80 -154.31 123.04 6.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.092 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.591 HG12 ' N ' ' B' ' 67' ' ' THR . 59.6 t -158.87 163.68 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 111.611 -178.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' B' ' 66' ' ' VAL . 95.2 m -112.27 156.51 22.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 22.6 p80 -170.31 143.91 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 111.897 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.49 153.58 31.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -57.72 153.11 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.648 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.588 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.51 38.84 7.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.756 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 82.7 m-70 -163.35 70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.701 ' CZ ' HG23 ' D' ' 4' ' ' THR . 2.1 t80 -164.0 126.87 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.312 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.722 ' O ' HD12 ' B' ' 84' ' ' LEU . 9.9 tt -153.76 134.53 4.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 0.0 112.018 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.581 ' OH ' HG22 ' D' ' 8' ' ' VAL . 4.9 t80 -138.97 138.12 37.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.284 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.814 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.1 p90 -166.77 138.2 3.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 40.5 m-85 -78.17 149.59 33.71 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.829 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.581 ' O ' HG22 ' B' ' 81' ' ' VAL . 47.7 tp -170.19 140.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.23 39.52 64.65 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.297 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 81' ' ' VAL . 72.7 mt-30 57.56 38.74 28.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.743 0.306 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.581 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.0 m -157.81 136.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.987 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.534 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.89 140.62 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -127.91 133.8 66.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.722 HD12 ' O ' ' B' ' 74' ' ' ILE . 61.7 tp -134.85 145.29 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 111.209 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' B' ' 46' ' ' PHE . 51.6 tp -159.89 142.97 13.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.526 ' CZ ' HG11 ' B' ' 66' ' ' VAL . 11.0 p90 -177.77 128.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.741 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -84.64 158.22 20.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 111.366 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.732 ' O ' HG22 ' B' ' 53' ' ' THR . 46.6 t -136.72 135.41 38.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.536 ' HE3' HG22 ' A' ' 70' ' ' THR . 0.8 OUTLIER -101.87 134.56 44.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.533 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.1 p30 -82.01 120.87 25.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.555 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.547 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.6 t -82.26 146.37 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.613 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -153.31 125.2 1.72 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.336 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.92 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.6 pp -160.43 136.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.103 0.478 . . . . 0.0 111.394 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -109.16 73.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.183 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.646 HG23 HD13 ' C' ' 6' ' ' ILE . 47.1 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.363 . . . . 0.0 111.008 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.535 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 8.3 t0 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 121.052 0.453 . . . . 0.0 111.813 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.701 HG23 ' CZ ' ' B' ' 73' ' ' PHE . 52.1 m -75.59 140.98 42.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.137 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.591 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -159.84 128.37 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.183 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.892 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -161.46 146.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 111.768 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -103.61 87.69 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.318 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.817 HG23 HD13 ' D' ' 6' ' ' ILE . 80.3 t -69.37 140.84 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 0.0 111.244 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.592 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.085 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.949 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.736 0.303 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -101.28 138.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.998 0.428 . . . . 0.0 111.896 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.5 mp -77.67 144.78 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.055 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 31.5 mmmt -128.13 -38.17 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.397 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -146.55 53.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 111.028 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.567 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.42 142.0 34.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.472 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -170.65 56.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.496 ' HE2' ' HA ' ' A' ' 72' ' ' HIS . 50.0 ttm -165.95 161.94 17.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.405 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.439 ' N ' ' HG2' ' A' ' 13' ' ' MET . 54.1 m -49.63 136.26 17.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 12.4 pt-20 -50.51 -44.27 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.503 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 17' ' ' MET . 24.3 pt-20 -59.85 -46.38 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 65.8 mtt -58.83 -44.92 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.687 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.91 ' HG2' HD12 ' A' ' 74' ' ' ILE . 62.5 mt-30 -55.34 -43.49 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.25 -43.59 98.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.44 -38.68 87.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.581 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -68.75 -45.7 70.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.315 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.87 HG22 ' CE2' ' A' ' 76' ' ' PHE . 47.1 t -67.33 -41.03 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.08 -43.26 78.95 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.387 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.28 -38.93 92.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.578 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.775 ' CB ' HD11 ' A' ' 42' ' ' ILE . . . -67.49 -35.98 80.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.7 m -60.45 -45.4 93.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.397 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -59.8 -46.65 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.399 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -56.72 -37.08 70.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.02 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.865 ' CD2' HD11 ' A' ' 38' ' ' ILE . 63.6 mt -66.18 -49.54 67.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.453 . . . . 0.0 111.396 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -72.22 -32.54 66.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.05 -16.92 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.097 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE2' ' NE2' ' A' ' 41' ' ' HIS . 46.7 m-85 -144.81 -36.66 0.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 23.0 p30 54.59 50.57 15.69 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.492 ' O ' HG13 ' A' ' 38' ' ' ILE . 66.6 mt -146.46 127.37 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.62 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.92 -47.53 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.788 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' D' ' 7' ' ' GLN . 19.4 ttpp -58.32 -55.19 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.381 . . . . 0.0 111.319 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 55.4 m-20 -54.66 -44.85 73.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.536 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.865 HD11 ' CD2' ' A' ' 29' ' ' LEU . 98.7 mt -51.64 -42.51 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.978 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.43 -42.3 79.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.693 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.19 89.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 64.2 m-70 -68.14 -54.31 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.893 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.775 HD11 ' CB ' ' A' ' 25' ' ' ALA . 65.2 mt -58.59 -42.1 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.6 -52.93 63.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.184 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 41' ' ' HIS . 64.9 pttt -62.21 -44.3 96.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 5.2 mm-40 -55.58 -48.08 75.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.313 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.572 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 28.1 m-85 -71.94 -44.64 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 37.5 m-20 -55.77 -34.64 65.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -83.34 -40.14 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -80.17 -60.36 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.7 m-85 -85.79 -18.82 31.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 93.99 144.74 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 C-N-CA 122.848 0.459 . . . . 0.0 110.138 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 38.5 Cg_exo -61.02 169.33 6.12 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.469 2.113 . . . . 0.0 112.91 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -116.99 121.49 41.52 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 0.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.63 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 25.3 m95 -94.53 127.86 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.054 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 21.6 m-70 -101.35 136.41 41.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -135.81 148.11 48.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.392 0.615 . . . . 0.0 112.375 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.56 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 51.9 mt -148.39 135.15 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.848 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 50.6 t -145.11 133.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.997 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.89 -132.03 1.82 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.217 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.4 ptt180 -179.03 40.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 163.13 82.39 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.231 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CZ ' HG22 ' A' ' 57' ' ' ILE . 10.7 p90 -171.87 137.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.357 0.598 . . . . 0.0 112.464 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.64 150.46 19.66 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.648 ' HB3' HG23 ' B' ' 57' ' ' ILE . 70.2 p -166.39 154.89 10.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 23.4 m-85 -138.11 137.5 37.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.097 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 14.2 t -155.11 159.83 2.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.88 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.42 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.3 m -116.93 147.74 41.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -165.28 154.43 12.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.21 0.528 . . . . 0.0 112.076 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -59.09 140.02 56.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.104 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.4 HG23 ' N ' ' C' ' 1' ' ' MET . 67.5 p -58.96 150.94 23.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.6 37.41 7.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.637 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.496 ' HA ' ' HE2' ' A' ' 13' ' ' MET . 66.4 m80 -155.66 56.34 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.629 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 6.8 t80 -160.06 144.81 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.912 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.91 HD12 ' HG2' ' A' ' 18' ' ' GLN . 11.1 tt -160.01 129.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.361 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.543 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 37.8 t80 -125.83 133.7 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.547 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.87 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -165.94 137.35 3.78 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.87 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 64.4 m-85 -73.88 154.69 39.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.277 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.949 HD13 ' HB2' ' A' ' 6' ' ' ALA . 37.6 tp -161.87 132.65 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 111.91 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.41 -65.39 0.26 Allowed Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.067 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 81' ' ' VAL . 19.0 pt20 179.47 35.67 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.91 0.386 . . . . 0.0 110.102 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.8 m -160.85 135.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.752 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.87 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -69.96 126.83 30.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.0 mt -106.5 136.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 60.5 tp -128.13 141.38 51.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 46' ' ' PHE . 50.0 tp -156.87 138.58 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.451 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.514 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.6 p90 -178.23 126.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.641 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.63 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -96.45 170.14 9.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.18 0.514 . . . . 0.0 111.807 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.473 ' N ' ' HD3' ' A' ' 87' ' ' LYS . 39.8 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.702 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.811 ' HB2' ' CG ' ' B' ' 78' ' ' LEU . . . . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.959 0.409 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.0 m -107.62 136.83 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.627 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.884 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -89.66 145.98 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.075 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -135.47 -43.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.976 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' B' ' 75' ' ' TYR . 22.8 t-20 -114.88 51.76 0.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.021 0.439 . . . . 0.0 110.271 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.884 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -55.06 137.01 47.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.226 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -177.68 52.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.46 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.54 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 52.2 ttm -167.48 148.16 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.081 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -42.46 145.52 0.41 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.923 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 24.5 pt-20 -55.28 -44.93 76.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.707 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -65.8 -45.27 83.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.54 ' HB2' ' HG2' ' B' ' 13' ' ' MET . 86.5 mtp -62.4 -49.42 75.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.873 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.3 pt20 -64.93 -38.29 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.619 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -68.31 -39.98 81.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -67.2 -37.49 83.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.655 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.78 -42.43 86.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.033 0.444 . . . . 0.0 110.036 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.905 HG22 ' CE2' ' B' ' 76' ' ' PHE . 51.9 t -63.33 -49.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.471 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' B' ' 23' ' ' GLU . 5.2 mm-40 -65.43 -42.72 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.83 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -61.73 -34.31 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.648 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.802 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.02 -38.83 79.43 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.8 m -59.5 -45.69 90.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.19 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.91 -39.14 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.836 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.88 -45.95 78.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.234 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' B' ' 38' ' ' ILE . 61.6 mt -64.0 -43.89 94.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.001 0.429 . . . . 0.0 111.03 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.54 -33.62 76.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -86.61 -40.8 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.916 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -112.95 -45.49 3.18 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 66.35 44.91 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.964 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.562 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.6 mt -154.12 124.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' B' ' 38' ' ' ILE . 11.9 pt-20 -45.12 -44.76 10.82 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -59.45 -58.21 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.5 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 58.9 m-20 -54.6 -42.51 71.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.238 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.82 HD11 ' CD2' ' B' ' 29' ' ' LEU . 75.9 mt -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 111.061 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' B' ' 43' ' ' LYS . . . -66.61 -23.14 66.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.986 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -67.67 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.486 -178.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.802 HD11 ' HA ' ' B' ' 25' ' ' ALA . 72.9 mt -60.37 -44.01 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.476 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.51 ' HD3' ' C ' ' B' ' 43' ' ' LYS . 13.2 tmtt? -61.71 -49.81 74.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 20.2 pttp -64.99 -41.37 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.411 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.11 -56.68 17.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.601 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 42.3 m-85 -62.93 -43.94 97.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.435 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.6 t0 -54.52 -43.44 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.79 -45.25 37.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.985 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.23 -69.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.0 m-30 -72.41 -11.74 60.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.967 -178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 90.93 143.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 O-C-N 123.505 0.503 . . . . 0.0 110.456 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.412 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 23.5 Cg_endo -61.64 168.91 7.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.32 2.013 . . . . 0.0 112.29 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.569 HG22 ' O ' ' B' ' 88' ' ' SER . 9.5 t -113.64 130.05 56.46 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.892 0.477 . . . . 0.0 110.464 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.601 ' CE2' ' HB3' ' B' ' 46' ' ' PHE . 24.7 m95 -103.31 133.74 47.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.49 ' ND1' HG13 ' A' ' 66' ' ' VAL . 23.4 m-70 -111.85 136.32 51.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.045 -0.98 . . . . 0.0 108.598 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.3 t -141.78 149.51 40.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.248 0.547 . . . . 0.0 112.295 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 64' ' ' SER . 39.5 mt -148.65 142.35 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.066 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.06 134.67 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.59 -130.08 1.55 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.249 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 23.2 ptt-85 -174.14 35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.705 0.288 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 168.74 80.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.714 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.523 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 4.9 p90 -155.89 130.16 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' D' ' 6' ' ' ILE . . . -103.23 139.5 14.48 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.446 ' HB2' HG12 ' A' ' 57' ' ' ILE . 76.2 p -163.44 163.05 25.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.711 1.255 . . . . 0.0 114.297 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' D' ' 4' ' ' THR . 17.8 m-85 -135.5 143.96 46.09 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.862 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.633 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 24.4 t -159.15 161.28 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.547 ' N ' HG12 ' B' ' 66' ' ' VAL . 81.4 m -109.79 139.22 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.456 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 31.1 p80 -157.68 136.51 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 111.662 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.417 ' HG3' ' CG ' ' B' ' 72' ' ' HIS . 16.5 pt-20 -57.58 148.87 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.8 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -57.37 148.65 22.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.7 35.92 8.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.551 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.417 ' CG ' ' HG3' ' B' ' 69' ' ' GLU . 58.7 m80 -153.83 69.42 0.79 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.732 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.641 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.8 t80 -176.42 143.44 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.75 HD12 ' HB2' ' B' ' 18' ' ' GLN . 7.8 tt -155.01 131.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.282 0.563 . . . . 0.0 112.096 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.59 ' HB3' ' HB3' ' B' ' 10' ' ' ASN . 5.3 t80 -130.82 134.72 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.905 ' CE2' HG22 ' B' ' 22' ' ' VAL . 2.7 p90 -169.98 135.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.128 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 52.6 m-85 -72.81 149.27 43.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.811 ' CG ' ' HB2' ' B' ' 6' ' ' ALA . 3.5 tt -170.09 138.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.759 ' N ' HD23 ' B' ' 78' ' ' LEU . . . 55.51 40.38 77.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 81' ' ' VAL . 14.1 mp0 57.83 36.19 26.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.682 0.277 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.8 m -158.39 135.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.498 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -69.85 136.39 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.192 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 56.0 mt -119.42 141.26 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 65.7 tp -140.04 139.92 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.426 HD11 ' HE3' ' B' ' 54' ' ' TRP . 58.3 tp -158.87 140.24 13.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.706 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.641 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.3 p90 -177.55 133.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' B' ' 53' ' ' THR . 63.5 pttt -99.57 142.58 30.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 111.609 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.569 ' O ' HG22 ' B' ' 53' ' ' THR . 46.7 t -111.7 132.07 54.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.471 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.4 ' N ' HG23 ' A' ' 70' ' ' THR . 1.9 mpt? . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -154.24 129.9 10.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.559 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -81.08 117.46 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.838 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.519 HG22 ' HB ' ' A' ' 66' ' ' VAL . 15.3 t -74.97 141.16 44.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.105 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.94 134.19 6.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.4 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -155.87 170.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.12 0.486 . . . . 0.0 111.718 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.504 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 38.9 tt0 -157.84 69.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.31 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 52.7 t . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 -179.388 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.795 0.331 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.568 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.1 t -70.01 148.92 48.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.984 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.605 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -152.54 129.42 2.76 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.887 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -159.5 134.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 111.792 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' D' ' 7' ' ' GLN . 14.4 pt20 -110.0 73.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.486 HG23 HD13 ' D' ' 6' ' ' ILE . 38.7 t -69.11 131.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.512 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.6 m-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.412 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.829 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 111.849 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.8 m -95.84 138.49 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.324 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.826 HG12 ' HB2' ' A' ' 11' ' ' ALA . 9.3 tp -85.64 141.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 3.8 mmmp? -120.41 -52.17 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.392 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ALA . 6.1 m120 -92.45 -60.63 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.605 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.826 ' HB2' HG12 ' A' ' 8' ' ' ILE . . . 60.35 131.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 36.5 t70 -177.54 56.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 0.0 111.435 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.439 ' HB2' ' CE ' ' A' ' 17' ' ' MET . 16.4 ptp -171.54 -177.05 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 m -58.28 140.01 54.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 53.0 mm-40 -52.86 -46.42 67.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.496 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.6 pt-20 -69.53 -37.16 77.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.439 ' CE ' ' HB2' ' A' ' 13' ' ' MET . 38.6 ttp -68.33 -42.33 79.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.923 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.609 ' HB2' HD12 ' A' ' 74' ' ' ILE . 14.7 pt20 -65.21 -41.94 93.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.21 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 3.1 pt20 -63.0 -37.98 89.36 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.07 -36.71 80.36 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.916 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.1 t -63.77 -43.48 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.708 HG13 ' HB3' ' A' ' 6' ' ' ALA . 59.3 t -63.45 -46.55 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.419 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.68 -45.83 84.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.149 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.29 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.755 ' HB2' HD11 ' A' ' 42' ' ' ILE . . . -68.88 -36.78 78.49 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 109.812 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -60.91 -48.11 83.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.735 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -59.12 -47.43 85.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB2' ' CB ' ' A' ' 41' ' ' HIS . . . -54.34 -36.55 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.678 ' CD2' HD11 ' A' ' 38' ' ' ILE . 54.6 mt -63.56 -47.72 80.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.641 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.37 -26.25 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.093 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 26.9 mmmt -90.2 -51.19 5.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.453 0.644 . . . . 0.0 109.979 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' C ' ' H ' ' A' ' 34' ' ' ILE . 8.5 m-85 -137.15 94.61 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.612 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -70.28 24.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 111.131 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -98.7 136.2 30.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.539 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.6 mt-10 -48.43 -49.22 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.824 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.512 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 6.3 ttpm? -60.49 -57.35 13.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.337 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 32' ' ' TYR . 59.8 m-20 -52.07 -42.35 63.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 29' ' ' LEU . 86.5 mt -48.0 -43.96 11.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.437 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -63.16 -30.33 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.012 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -65.27 -45.89 82.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.599 ' CB ' ' HB2' ' A' ' 28' ' ' ALA . 27.6 m-70 -63.75 -62.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.755 HD11 ' HB2' ' A' ' 25' ' ' ALA . 64.7 mt -55.12 -42.75 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.312 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 13.3 tmtt? -61.98 -52.35 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 41' ' ' HIS . 64.5 pttt -68.78 -45.41 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 97.5 mt-10 -53.93 -48.94 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.516 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 20.9 m-85 -65.99 -44.47 84.76 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.67 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 30.0 m-20 -55.97 -33.97 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.643 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.535 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.82 -42.82 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.357 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -76.28 -69.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 49.8 m-85 -80.75 -14.8 57.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.527 -0.761 . . . . 0.0 113.015 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 4.8 m120 90.08 145.49 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 122.528 0.331 . . . . 0.0 110.115 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -55.83 168.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.113 1.875 . . . . 0.0 112.562 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 88' ' ' SER . 11.3 t -113.16 130.87 56.07 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.853 0.461 . . . . 0.0 111.23 0.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.522 ' NE1' ' HD3' ' A' ' 87' ' ' LYS . 27.4 m95 -112.28 135.83 52.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.021 0.439 . . . . 0.0 111.469 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . 14.7 m-70 -111.97 150.26 30.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -150.76 150.95 31.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.844 0.831 . . . . 0.0 113.183 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.792 HG23 ' O ' ' B' ' 63' ' ' GLY . 57.1 mt -151.71 136.06 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.196 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 HG23 ' A' ' 83' ' ' ILE . 55.1 t -136.26 136.35 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.373 . . . . 0.0 111.374 -179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' HA2' ' OE1' ' A' ' 35' ' ' GLU . . . 179.56 -131.75 1.72 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.56 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 37.4 ptt85 -179.84 44.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.647 0.26 . . . . 0.0 111.477 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.576 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 162.9 82.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.033 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 2.2 p90 -166.61 130.47 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.576 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.73 136.9 12.94 Favored Glycine 0 CA--C 1.511 -0.195 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.795 ' HB3' HD13 ' B' ' 57' ' ' ILE . 19.9 m -164.54 161.63 21.28 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CD1' ' HB3' ' B' ' 39' ' ' ALA . 12.9 m-85 -123.14 148.71 45.42 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.84 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 43.5 t -157.1 162.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.537 ' N ' HG12 ' A' ' 66' ' ' VAL . 60.9 m -125.41 140.29 52.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.432 ' CG ' ' HB2' ' A' ' 73' ' ' PHE . 33.3 p80 -159.12 147.76 18.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.458 ' HG3' ' ND1' ' A' ' 72' ' ' HIS . 24.3 pt-20 -68.77 147.58 51.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.975 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.0 p -54.06 144.6 18.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.803 0.335 . . . . 0.0 111.375 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.639 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 67.79 34.15 4.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.306 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.458 ' ND1' ' HG3' ' A' ' 69' ' ' GLU . 58.4 m80 -155.02 52.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.791 ' CE1' HD11 ' A' ' 84' ' ' LEU . 43.8 t80 -166.52 144.7 5.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.221 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.696 HG13 HD11 ' A' ' 8' ' ' ILE . 9.2 tt -167.15 139.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.305 0.574 . . . . 0.0 112.184 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 82' ' ' ALA . 44.2 t80 -132.25 138.12 47.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.463 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.538 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 7.5 p90 -167.69 141.55 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.842 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 65.0 m-85 -81.4 151.32 27.98 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 6' ' ' ALA . 28.9 tp -162.98 134.89 5.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.45 -67.88 0.25 Allowed Glycine 0 C--N 1.334 0.451 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.31 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 81' ' ' VAL . 39.1 tt0 -177.81 34.11 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.056 0.455 . . . . 0.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.2 m -163.24 140.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.842 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -82.43 125.32 30.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.372 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.632 ' N ' HD12 ' A' ' 83' ' ' ILE . 2.0 mp -105.33 134.05 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.688 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.791 HD11 ' CE1' ' A' ' 73' ' ' PHE . 55.4 tp -119.93 122.2 40.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.479 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.578 ' HB3' HG23 ' A' ' 74' ' ' ILE . 58.8 tp -109.08 141.65 40.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 111.232 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.581 ' HB2' ' HB2' ' A' ' 55' ' ' HIS . 20.4 m-85 -133.83 154.8 50.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.544 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.522 ' HD3' ' NE1' ' A' ' 54' ' ' TRP . 18.0 tptm -152.61 121.36 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.1 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 53' ' ' THR . 50.7 m . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.006 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.658 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' B' ' 77' ' ' TYR . 27.2 m -84.45 139.69 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.009 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' B' ' 11' ' ' ALA . 18.5 mt -113.88 143.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -137.37 9.66 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.839 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.463 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 75.4 m-20 -162.17 42.34 0.13 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -66.86 134.58 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.726 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -175.52 69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.714 0.292 . . . . 0.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.899 ' O ' ' HB2' ' B' ' 17' ' ' MET . 23.6 ptm -176.37 54.92 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.738 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 33.5 t 62.75 135.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 110.986 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.442 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 16.4 pt-20 -54.0 -46.1 71.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.088 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.97 -44.97 87.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.428 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.899 ' HB2' ' O ' ' B' ' 13' ' ' MET . 66.4 mtt -63.25 -50.99 68.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.869 ' HB2' HD12 ' B' ' 74' ' ' ILE . 18.3 pt20 -61.89 -40.58 95.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.852 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -68.98 -37.75 78.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.825 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.87 -36.89 85.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.696 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -67.36 -44.33 79.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.968 0.413 . . . . 0.0 110.073 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.85 HG22 ' CE2' ' B' ' 76' ' ' PHE . 47.8 t -64.49 -45.96 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.365 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.32 -43.76 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.145 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.57 -35.91 82.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.963 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.901 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -67.34 -37.62 83.57 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.275 0.559 . . . . 0.0 109.99 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 95.5 m -63.34 -45.66 90.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.43 -44.49 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' B' ' 38' ' ' ILE . . . -58.2 -43.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.713 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 1.055 HD21 HD11 ' B' ' 38' ' ' ILE . 43.8 mt -56.91 -43.31 81.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.922 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.16 -31.29 71.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.447 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 68.1 mttm -78.01 -37.59 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' B' ' 33' ' ' ASN . 66.7 m-85 -130.3 -49.19 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.652 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.853 ' C ' HD12 ' B' ' 34' ' ' ILE . 50.1 t30 79.03 43.62 0.07 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.375 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.853 HD12 ' C ' ' B' ' 33' ' ' ASN . 3.0 mp -140.21 132.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.444 ' CB ' HG12 ' B' ' 58' ' ' VAL . 13.5 pm0 -46.3 -38.29 8.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.412 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.639 ' H ' HG22 ' B' ' 34' ' ' ILE . 18.1 ttpp -63.99 -54.31 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 59.9 m-20 -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.699 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 1.055 HD11 HD21 ' B' ' 29' ' ' LEU . 71.1 mt -48.43 -40.5 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 110.649 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.626 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -67.57 -36.72 81.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.21 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.31 -53.81 53.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.728 0.299 . . . . 0.0 111.303 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.447 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 78.5 m-70 -60.49 -57.41 12.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.986 0.422 . . . . 0.0 111.532 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.901 HD11 ' HB2' ' B' ' 25' ' ' ALA . 63.9 mt -56.14 -41.01 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.068 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.543 ' HZ2' ' HB3' ' B' ' 43' ' ' LYS . 6.6 ttpm? -59.36 -56.49 21.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.28 -45.69 90.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.1 mm-40 -53.61 -46.48 70.42 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.53 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 39.0 m-85 -80.35 -44.36 19.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -60.05 -36.66 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.374 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -81.49 -40.31 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -79.29 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.712 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.7 m-85 -84.28 -16.21 43.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 60.7 m-20 92.22 142.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.341 0 C-N-CA 122.725 0.41 . . . . 0.0 110.105 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.446 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -58.72 171.76 1.86 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.394 2.063 . . . . 0.0 112.737 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.667 HG22 ' O ' ' B' ' 88' ' ' SER . 12.8 t -116.19 113.79 23.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.751 0.42 . . . . 0.0 111.109 0.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.649 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.2 m95 -91.25 129.02 37.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 112.302 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.478 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 59.8 m-70 -103.01 133.12 48.66 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.452 ' O ' HD13 ' B' ' 57' ' ' ILE . 50.2 t -127.32 138.77 53.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.09 0.472 . . . . 0.0 112.037 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.795 HD13 ' HB3' ' A' ' 64' ' ' SER . 29.9 mm -131.4 139.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.739 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.447 HG11 HD12 ' B' ' 38' ' ' ILE . 45.3 t -153.87 133.54 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.939 0.399 . . . . 0.0 111.592 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 170.48 -145.24 8.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.66 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 17.7 mmm180 -162.29 36.99 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 170.56 79.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.742 ' CZ ' HG21 ' D' ' 8' ' ' VAL . 21.2 p90 -168.56 133.7 1.69 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.187 0.517 . . . . 0.0 112.281 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.792 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -80.14 131.65 10.7 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 52.7 m -115.16 137.32 52.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.611 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 2.6 t80 -151.55 117.15 5.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.616 HG12 ' N ' ' B' ' 67' ' ' THR . 25.5 t -156.48 170.14 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.616 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.0 m -124.42 141.98 51.66 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 30.3 p80 -162.41 151.72 15.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.927 0.394 . . . . 0.0 111.871 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -60.52 148.13 38.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.007 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.6 p -62.39 154.24 28.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.053 0.454 . . . . 0.0 111.668 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.727 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 66.15 38.75 4.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.817 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 86.7 m-70 -163.42 69.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.833 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 8.3 t80 -169.93 142.31 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.869 HD12 ' HB2' ' B' ' 18' ' ' GLN . 6.8 tt -159.63 140.73 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.255 0.55 . . . . 0.0 112.322 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.539 ' CE1' ' HB1' ' B' ' 82' ' ' ALA . 45.5 t80 -134.17 135.41 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.362 -0.836 . . . . 0.0 108.939 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.85 ' CE2' HG22 ' B' ' 22' ' ' VAL . 9.8 p90 -166.52 140.28 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.97 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.741 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 58.9 m-85 -88.96 148.64 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.264 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.658 HD13 ' HB2' ' B' ' 6' ' ' ALA . 22.3 tp -159.62 134.96 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.618 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.59 -65.3 0.28 Allowed Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.939 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.439 ' O ' HG13 ' B' ' 81' ' ' VAL . 26.0 pt20 178.1 36.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.935 0.398 . . . . 0.0 110.332 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.439 HG13 ' O ' ' B' ' 80' ' ' GLN . 26.8 m -159.61 137.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.097 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.741 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -77.37 143.52 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.647 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.488 ' N ' HD12 ' B' ' 83' ' ' ILE . 4.3 mp -126.5 138.74 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.863 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 46.6 tp -135.6 145.95 47.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.479 HD22 ' CG2' ' B' ' 42' ' ' ILE . 61.9 tp -157.26 145.41 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.329 . . . . 0.0 111.352 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.572 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 14.2 p90 -178.17 130.13 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.649 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -89.4 145.56 25.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.913 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.667 ' O ' HG22 ' B' ' 53' ' ' THR . 47.9 t -115.25 120.83 40.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.677 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.459 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.464 ' SD ' HG22 ' A' ' 67' ' ' THR . 20.7 ptp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -99.38 135.79 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.549 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 1.1 m-20 -74.34 121.98 22.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.454 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 11.2 t -86.8 136.25 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.18 136.89 11.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.21 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -147.88 167.54 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.132 0.492 . . . . 0.0 111.631 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.576 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.0 pt20 -160.49 69.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.475 HG21 ' OH ' ' A' ' 75' ' ' TYR . 50.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.3 p-10 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.892 0.377 . . . . 0.0 111.688 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.475 HG22 ' HB ' ' B' ' 66' ' ' VAL . 8.9 t -74.44 139.51 44.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.443 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -138.33 117.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.073 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.443 HG23 ' O ' ' D' ' 5' ' ' GLY . 45.3 pt -161.16 170.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.36 . . . . 0.0 110.725 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -144.37 111.8 6.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.742 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 60.1 t -81.8 140.53 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.003 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.723 0.296 . . . . 0.0 111.567 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -98.38 136.75 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.084 0.468 . . . . 0.0 111.657 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -87.92 127.95 40.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.738 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.517 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 31.5 mmmt -81.22 -33.7 32.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.478 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -155.16 -48.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . 64.12 145.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 33.7 t70 -169.55 62.68 0.05 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.069 0.461 . . . . 0.0 110.913 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.4 ptp -174.82 166.77 3.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -41.24 140.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.594 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.8 mt-10 -52.53 -48.21 66.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.351 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.3 -39.04 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.69 -51.67 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.76 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.9 pt20 -60.72 -39.07 87.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.818 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.67 -44.1 87.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.578 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -60.79 -37.98 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.3 m -66.43 -42.54 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.962 0.41 . . . . 0.0 109.997 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.951 HG22 ' CE2' ' A' ' 76' ' ' PHE . 43.8 t -64.4 -45.91 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.211 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -64.51 -48.08 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.9 m -65.51 -34.61 78.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.356 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.928 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.76 -37.49 73.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.163 0.506 . . . . 0.0 109.769 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.9 m -65.09 -50.2 67.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.448 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 10.7 mm100 -59.29 -36.34 75.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.845 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.826 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -58.48 -48.74 79.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.004 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.34 -46.76 87.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.531 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 11.3 pt-20 -66.66 -28.21 68.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 9.0 mtpm? -85.67 -41.53 15.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.42 -46.39 2.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.84 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 66.9 49.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.993 0.425 . . . . 0.0 110.35 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.591 ' O ' HG12 ' A' ' 38' ' ' ILE . 55.5 mt -149.49 114.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -41.74 -44.54 3.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.26 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -64.11 -57.41 9.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.413 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.4 m-20 -59.44 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.332 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.826 HG23 ' CB ' ' A' ' 28' ' ' ALA . 4.7 mm -50.73 -53.23 14.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -63.79 -26.16 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' B' ' 65' ' ' TYR . . . -64.25 -57.76 8.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.823 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.613 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -64.05 -46.48 84.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.858 -179.339 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.928 HD11 ' HA ' ' A' ' 25' ' ' ALA . 64.7 mt -60.31 -37.62 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.11 -52.99 62.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -70.19 -43.0 71.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.904 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.61 -52.91 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.519 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 42' ' ' ILE . 8.1 m-85 -71.48 -44.57 64.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.639 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 8.7 t0 -54.03 -35.99 62.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.5 tmtt? -73.89 -49.68 23.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.352 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.73 -70.01 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.296 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 5.8 m-30 -68.77 -15.88 63.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.866 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 66.0 m-20 95.37 145.38 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 C-N-CA 122.866 0.466 . . . . 0.0 111.095 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.447 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 20.5 Cg_endo -61.2 163.16 17.74 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.689 2.259 . . . . 0.0 112.432 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 15.3 t -120.41 130.47 54.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.132 0.573 . . . . 0.0 110.366 0.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m95 -97.56 128.83 44.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 32.9 m-70 -95.37 129.84 42.37 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.685 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.739 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 73.4 m -124.75 142.72 51.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.406 0.622 . . . . 0.0 112.451 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 84' ' ' LEU . 51.9 mt -150.37 133.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.4 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 83' ' ' ILE . 40.3 t -153.6 140.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.81 -135.92 3.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.702 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.586 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 76.8 mtp180 -159.74 36.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.586 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 162.05 84.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' C' ' 8' ' ' VAL . 3.6 p90 -155.33 129.22 8.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.07 135.43 12.43 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 109.779 -1.329 . . . . 0.0 109.779 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.1 t -154.36 154.1 32.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.187 0.994 . . . . 0.0 113.676 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -137.93 129.74 28.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.167 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 4' ' ' THR . 15.8 t -153.73 162.3 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.4 m -108.24 153.4 23.26 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.51 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 23.7 p80 -168.11 145.52 4.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.055 0.455 . . . . 0.0 112.185 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HB3' ' ND1' ' A' ' 72' ' ' HIS . 17.3 tp10 -56.8 158.92 4.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.381 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.539 HG23 ' N ' ' C' ' 1' ' ' MET . 69.4 p -56.15 150.39 14.19 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.264 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.66 22.97 13.37 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.799 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 53.8 m170 -126.45 67.35 1.23 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.344 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.639 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 t80 -160.85 132.52 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 111.216 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.797 ' O ' HD12 ' A' ' 84' ' ' LEU . 11.2 tt -162.64 140.41 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 9' ' ' LYS . 38.0 t80 -152.52 136.2 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.676 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.951 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.0 p90 -168.99 140.85 2.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 0.0 111.902 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.759 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 7.3 m-85 -87.1 158.8 19.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.106 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 24.5 tp -165.2 133.97 3.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 111.668 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 67.55 -65.31 0.28 Allowed Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.094 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 81' ' ' VAL . 26.0 pt20 179.4 35.96 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.5 m -158.41 136.35 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.96 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . . . -85.75 128.03 34.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.601 ' N ' HD12 ' A' ' 83' ' ' ILE . 3.4 mp -110.04 136.39 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 74' ' ' ILE . 64.3 tp -127.57 143.94 51.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.771 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 74' ' ' ILE . 53.0 tp -155.19 142.26 19.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.053 0.454 . . . . 0.0 111.094 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 3.3 p90 -176.05 124.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.052 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 21.8 ptmt -94.12 170.61 9.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 0.0 111.85 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.607 179.86 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.74 0.305 . . . . 0.0 111.782 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 22.4 m -100.23 137.05 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.989 0.424 . . . . 0.0 111.63 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.889 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -84.34 141.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.963 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -128.54 -38.85 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.461 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -132.09 56.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 111.17 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -60.04 128.41 36.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.77 60.93 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.132 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.2 ttm -177.97 158.14 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 38.0 t -46.97 140.75 4.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.442 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.482 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 50.5 mt-10 -52.4 -44.65 65.47 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.863 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -59.29 -44.98 92.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.676 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.76 -46.15 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.294 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.853 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.7 pt20 -65.61 -36.69 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.517 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.5 pt20 -71.68 -39.13 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.838 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -69.83 -36.97 76.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.694 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.4 m -67.82 -42.61 81.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.923 0.392 . . . . 0.0 110.199 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 18' ' ' GLN . 64.8 t -65.44 -46.87 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.1 -42.46 84.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.27 -35.36 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.614 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.813 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -68.39 -37.66 80.6 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.794 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.197 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.428 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 99.4 mm-40 -60.35 -40.82 92.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.177 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -57.13 -43.38 82.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.868 ' CD2' HD11 ' B' ' 38' ' ' ILE . 49.3 mt -62.56 -48.36 79.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.597 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 10.9 pt-20 -65.23 -29.06 69.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.746 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 21.8 ptmt -89.41 -37.99 14.42 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.435 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 42.4 m-85 -111.37 -43.75 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 67.19 41.06 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.39 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.534 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -151.26 124.14 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.58 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' B' ' 38' ' ' ILE . 10.0 pt-20 -48.85 -46.86 42.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.186 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.43 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 0.1 OUTLIER -60.95 -48.93 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -56.68 -41.96 78.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 111.202 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.868 HD11 ' CD2' ' B' ' 29' ' ' LEU . 64.9 mt -54.38 -54.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.244 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -65.55 -28.19 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.386 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.46 -64.16 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.567 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -63.75 -45.32 90.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.592 -178.688 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.813 HD11 ' HA ' ' B' ' 25' ' ' ALA . 83.3 mt -59.75 -43.32 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.225 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' B' ' 43' ' ' LYS . 5.8 tmtm? -57.83 -51.96 67.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.774 0.321 . . . . 0.0 110.514 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.54 -53.47 57.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.021 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.425 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.6 m-85 -70.15 -42.49 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.057 0.456 . . . . 0.0 110.825 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.8 t0 -55.03 -41.83 71.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -77.03 -46.95 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.51 -62.35 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.479 0.657 . . . . 0.0 112.137 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.4 m-85 -77.39 -15.71 59.23 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.991 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.53 143.18 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.405 0 C-N-CA 122.93 0.492 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.427 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 30.8 Cg_endo -63.85 167.07 14.53 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.48 2.12 . . . . 0.0 112.653 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.514 HG23 ' CE1' ' B' ' 55' ' ' HIS . 12.3 t -116.08 127.02 54.52 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.84 0.456 . . . . 0.0 110.643 -0.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 28.7 m95 -99.21 130.96 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 0.0 112.255 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.514 ' CE1' HG23 ' B' ' 53' ' ' THR . 15.7 m-70 -110.59 133.6 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.839 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.406 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 49.3 t -134.43 153.53 51.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.415 0.626 . . . . 0.0 112.624 -178.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.523 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 55.7 mt -149.55 143.41 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.169 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -155.25 136.35 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.271 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.42 -132.21 1.81 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.019 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 24.1 ptt-85 -177.78 36.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 111.52 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 166.13 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.99 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.1 p90 -173.38 141.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.383 0.611 . . . . 0.0 112.435 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -106.27 141.12 15.41 Favored Glycine 0 C--N 1.329 0.148 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.48 ' HB2' HG12 ' A' ' 57' ' ' ILE . 66.5 p -156.62 153.76 29.09 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.765 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 28.8 m-85 -127.18 143.35 51.28 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.696 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.665 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 38.2 t -157.21 162.92 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-O 120.474 0.178 . . . . 0.0 111.297 -178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.56 ' N ' HG12 ' B' ' 66' ' ' VAL . 51.6 m -111.37 142.58 43.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.464 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 29.3 p80 -157.91 135.34 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 111.89 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -55.41 144.51 25.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.192 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 25.1 p -53.08 146.88 10.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.954 0.407 . . . . 0.0 111.556 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm 64.27 37.18 8.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.585 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 67.2 m80 -157.51 69.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.814 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.677 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 37.0 t80 -163.97 138.53 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.519 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.66 HD12 ' CB ' ' B' ' 18' ' ' GLN . 11.3 tt -158.66 135.95 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.312 0.577 . . . . 0.0 112.036 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.428 ' HD2' HD13 ' B' ' 84' ' ' LEU . 4.6 t80 -137.72 134.09 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.087 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.846 ' CE2' HG22 ' B' ' 22' ' ' VAL . 9.0 p90 -165.87 143.24 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.141 0.496 . . . . 0.0 112.053 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 6.1 m-85 -76.65 145.99 38.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.979 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' B' ' 6' ' ' ALA . 36.2 tp -168.59 141.29 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.834 0.349 . . . . 0.0 110.95 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' B' ' 80' ' ' GLN . . . 53.71 46.59 66.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.837 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' B' ' 79' ' ' GLY . 17.5 pt20 47.34 39.55 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.3 m -159.28 137.28 2.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.625 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.23 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.097 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 78' ' ' LEU . 53.6 mt -126.97 139.27 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.641 HD11 ' HE1' ' B' ' 73' ' ' PHE . 59.1 tp -136.44 142.55 43.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.736 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 74' ' ' ILE . 61.0 tp -157.41 144.27 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.888 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.677 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 10.3 p90 179.63 134.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.3 ptmt -97.08 170.4 9.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 111.356 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 52.2 m -148.36 136.12 20.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.457 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.539 ' N ' HG23 ' A' ' 70' ' ' THR . 12.3 tmm? . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 33.9 mmtp -157.14 135.53 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.4 p-10 -93.33 115.63 28.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.594 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 54.2 m -69.86 139.94 53.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.55 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.656 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -152.57 122.35 1.29 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.834 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.872 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.6 pp -161.47 138.54 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 111.98 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 22.2 pt20 -109.1 74.84 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.788 HG23 HD13 ' C' ' 6' ' ' ILE . 41.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.665 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.3 p-10 . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.895 0.378 . . . . 0.0 111.596 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.556 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.5 t -74.76 144.02 43.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.288 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.633 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -144.82 129.66 3.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.099 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.851 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.4 pp -160.84 143.41 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.296 0.569 . . . . 0.0 112.254 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.487 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 53.0 tt0 -122.61 116.31 23.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.465 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.74 143.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.966 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 7.5 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.633 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 1.053 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.73 0.3 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.1 m -104.25 136.85 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.969 0.414 . . . . 0.0 111.775 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -85.28 140.58 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.851 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -124.92 -33.86 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.402 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -138.66 58.85 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 111.326 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.11 140.42 38.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -175.53 59.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.424 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.0 ttm -177.47 157.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.692 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -46.32 140.99 3.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 50.5 mt-10 -53.5 -45.14 69.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.862 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.483 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 12.5 pt-20 -62.95 -40.71 98.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.544 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtt -65.07 -46.05 82.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.741 0.305 . . . . 0.0 111.308 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.745 ' O ' HG23 ' A' ' 22' ' ' VAL . 15.6 pt20 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.539 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 18.6 pt20 -70.19 -38.72 75.41 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.342 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.57 -39.83 95.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.5 m -66.08 -45.01 82.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 0.0 110.165 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.991 HG22 ' CE2' ' A' ' 76' ' ' PHE . 47.0 t -63.04 -45.83 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.533 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -66.42 -45.56 79.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.3 m -65.3 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.041 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.87 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.64 -40.41 73.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.227 0.537 . . . . 0.0 109.683 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.4 m -60.42 -48.4 81.93 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.293 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -59.71 -36.86 77.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.705 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.614 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -58.58 -41.64 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.962 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.772 ' CD2' HD11 ' A' ' 38' ' ' ILE . 51.3 mt -65.56 -45.96 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.997 0.427 . . . . 0.0 110.982 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.261 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -87.86 -38.33 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.961 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 2.6 m-85 -109.93 -46.86 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 111.666 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 t30 64.8 42.93 4.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.102 0.477 . . . . 0.0 110.606 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.573 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.3 mt -152.82 116.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.116 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 38' ' ' ILE . 54.4 mt-10 -43.95 -46.56 8.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.081 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HD3' ' NE2' ' D' ' 7' ' ' GLN . 17.6 ttpp -57.73 -53.82 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 59.6 m-20 -59.66 -40.27 87.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.935 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.772 HD11 ' CD2' ' A' ' 29' ' ' LEU . 72.5 mt -48.11 -52.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.127 0.489 . . . . 0.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.659 ' HB1' ' CB ' ' A' ' 56' ' ' CYS . . . -68.2 -30.57 69.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.214 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 -59.88 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.931 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.614 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -66.13 -46.97 75.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.87 HD11 ' HA ' ' A' ' 25' ' ' ALA . 54.0 mt -59.49 -38.82 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 25.4 ttpp -60.23 -56.14 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.742 0.306 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.76 -42.16 99.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.83 -49.09 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CE1' HG23 ' A' ' 42' ' ' ILE . 6.0 m-85 -68.22 -42.18 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -58.86 -38.13 78.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.027 0.442 . . . . 0.0 110.706 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 48' ' ' LYS . 3.3 tmtp? -69.19 -46.8 66.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.392 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -80.68 -70.1 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.6 m-30 -71.64 -14.45 62.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.93 143.05 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.552 0 C-N-CA 122.852 0.461 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 55.7 Cg_endo -69.62 169.24 19.2 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.55 2.167 . . . . 0.0 113.061 -179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.662 ' OG1' HG21 ' B' ' 67' ' ' THR . 14.8 t -115.7 126.47 54.14 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.582 0.353 . . . . 0.0 111.053 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.627 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.2 m95 -95.52 133.06 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 112.39 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' O ' HD12 ' A' ' 85' ' ' LEU . 52.3 m-70 -101.38 126.76 48.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.802 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.787 ' C ' HD12 ' A' ' 57' ' ' ILE . 73.6 m -117.77 142.19 47.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.219 0.533 . . . . 0.0 111.784 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.787 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.8 mp -143.44 143.98 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.138 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 35' ' ' GLU . 46.8 t -157.18 134.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.06 0.457 . . . . 0.0 110.833 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.95 -135.41 2.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.531 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.606 ' O ' ' HB3' ' A' ' 61' ' ' ASN . 39.5 ptt180 -174.81 29.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.616 ' HA ' HG12 ' C' ' 8' ' ' VAL . 10.9 p-10 161.27 85.8 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.631 ' HE2' HG21 ' A' ' 57' ' ' ILE . 4.1 p90 -168.66 138.56 2.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.597 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.9 135.74 16.19 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.5 t -128.92 146.77 50.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.762 0.781 . . . . 0.0 112.861 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.463 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 24.3 t80 -153.07 123.4 7.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.937 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.591 HG12 ' N ' ' A' ' 67' ' ' THR . 47.1 t -158.03 165.52 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.509 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 66' ' ' VAL . 92.1 m -110.38 151.83 26.99 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.45 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 27.4 p80 -164.22 148.09 9.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.132 0.491 . . . . 0.0 112.22 -178.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.16 144.0 57.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.803 HG23 ' N ' ' C' ' 1' ' ' MET . 58.2 p -55.84 148.98 15.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.685 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 62.79 37.59 12.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.796 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' HB3' ' HG3' ' A' ' 87' ' ' LYS . 66.0 m80 -156.13 49.87 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.938 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.767 ' HE1' HD11 ' A' ' 84' ' ' LEU . 29.3 t80 -144.96 143.14 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.988 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.755 ' O ' HD12 ' A' ' 84' ' ' LEU . 12.2 tt -161.19 139.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.323 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.486 ' OH ' HG22 ' C' ' 8' ' ' VAL . 41.0 t80 -143.28 134.43 25.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.65 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.991 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -167.71 138.14 2.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.848 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 7.0 m-85 -85.69 145.05 27.47 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.914 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.053 HD22 ' HB2' ' A' ' 6' ' ' ALA . 52.9 tp -170.19 145.37 2.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.55 39.74 75.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 54.18 38.27 28.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 110.809 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 78' ' ' LEU . 27.7 m -156.93 131.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.13 132.27 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.437 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.3 mt -116.82 131.81 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.767 HD11 ' HE1' ' A' ' 73' ' ' PHE . 55.7 tp -137.83 143.63 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.6 HD13 ' SG ' ' A' ' 56' ' ' CYS . 56.6 tp -154.9 143.47 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.58 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.2 p90 -179.89 130.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -100.09 170.62 8.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.204 0.526 . . . . 0.0 111.82 -178.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.04 -179.817 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.587 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -93.08 136.74 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 120.916 0.389 . . . . 0.0 111.669 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' B' ' 11' ' ' ALA . 8.5 tp -82.4 143.35 12.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.1 mmmt -112.3 -40.43 4.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -123.18 -51.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' B' ' 8' ' ' ILE . . . 63.34 129.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.704 0.288 . . . . 0.0 110.666 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -178.94 64.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.042 0.448 . . . . 0.0 110.594 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.412 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 50.3 ttm -177.21 153.48 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.616 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.4 m -42.73 140.5 1.3 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 111.637 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.493 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.0 mt-10 -50.2 -49.42 52.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.867 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 24.6 pt-20 -58.2 -43.58 87.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.534 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.419 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 60.7 mtt -65.09 -45.74 83.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.172 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.86 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.8 pt20 -66.73 -38.87 87.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.383 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.1 pt20 -72.6 -37.28 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.286 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.3 t70 -70.11 -35.61 74.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -45.03 75.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.86 HG23 ' O ' ' B' ' 18' ' ' GLN . 60.2 t -63.68 -46.71 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.322 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.59 -42.77 86.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.079 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -62.51 -34.07 76.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.901 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 1.04 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -69.88 -38.54 76.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.182 0.515 . . . . 0.0 109.948 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -62.53 -47.17 85.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.405 ' HB3' ' NZ ' ' B' ' 31' ' ' LYS . 84.7 mt-30 -59.74 -40.11 87.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.284 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' B' ' 41' ' ' HIS . . . -58.01 -46.25 85.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.766 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 1.025 HD21 HD11 ' B' ' 38' ' ' ILE . 46.3 mt -58.24 -42.81 87.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 110.574 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.497 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 62.6 mttp -81.16 -46.82 14.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.68 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.424 ' CD2' ' OD2' ' B' ' 37' ' ' ASP . 84.2 m-85 -120.79 -39.72 2.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.655 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 29' ' ' LEU . 49.5 t30 67.74 47.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.486 . . . . 0.0 110.023 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.455 ' O ' HG13 ' B' ' 38' ' ' ILE . 61.6 mt -143.67 133.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.606 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.685 ' CD ' HG12 ' B' ' 58' ' ' VAL . 3.4 mm-40 -46.39 -51.02 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.45 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -57.07 -56.55 20.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.657 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.424 ' OD2' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -52.82 -43.21 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.31 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 1.025 HD11 HD21 ' B' ' 29' ' ' LEU . 82.0 mt -48.19 -43.36 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.962 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 65' ' ' TYR . . . -63.07 -34.08 76.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.242 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.95 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.497 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 60.5 m-70 -64.49 -58.48 6.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.09 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 1.04 HD11 ' HB2' ' B' ' 25' ' ' ALA . 60.2 mt -64.61 -43.86 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.46 ' HD3' ' C ' ' B' ' 43' ' ' LYS . 1.1 tmtp? -64.04 -56.64 13.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.21 -51.31 69.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.2 mm-40 -55.08 -47.05 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.34 . . . . 0.0 111.585 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.6 m-85 -73.31 -41.22 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 0.8 OUTLIER -59.97 -39.36 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -70.51 -43.89 68.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -82.29 -66.55 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.9 m-30 -73.42 -16.05 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 60.8 m-20 92.32 140.87 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 122.813 0.445 . . . . 0.0 110.709 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.43 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 39.4 Cg_endo -66.67 171.08 11.36 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.555 2.17 . . . . 0.0 112.825 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.43 ' HA ' ' CB ' ' B' ' 52' ' ' PRO . 12.2 t -115.67 123.98 49.73 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.732 0.413 . . . . 0.0 110.915 0.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.661 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.1 m95 -91.6 126.82 36.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.494 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 28.5 m-70 -95.61 136.58 35.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.96 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.723 ' O ' HD13 ' B' ' 57' ' ' ILE . 50.0 t -142.38 142.63 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.51 0.671 . . . . 0.0 112.453 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.723 HD13 ' O ' ' B' ' 56' ' ' CYS . 34.3 mm -144.23 146.06 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.261 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.685 HG12 ' CD ' ' B' ' 35' ' ' GLU . 48.5 t -154.96 138.17 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.867 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.64 -141.17 4.84 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.76 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 76.3 mtp180 -154.21 27.3 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 36.4 t30 164.68 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 122.684 0.394 . . . . 0.0 110.116 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.494 ' CE2' ' CG2' ' B' ' 57' ' ' ILE . 3.3 p90 -156.18 130.75 8.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.133 0.492 . . . . 0.0 111.693 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -110.98 137.67 14.46 Favored Glycine 0 C--O 1.229 -0.2 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.63 ' HB3' HG23 ' A' ' 57' ' ' ILE . 78.1 p -163.39 167.84 21.16 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' D' ' 4' ' ' THR . 11.2 m-85 -130.86 145.78 52.1 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.132 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 21.6 t -158.28 161.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.837 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.662 HG21 ' OG1' ' A' ' 53' ' ' THR . 8.9 t -112.45 156.31 22.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -167.78 146.69 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -62.03 148.2 44.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.007 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 76.3 p -54.74 151.7 8.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.605 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.9 mmpt? 61.01 39.38 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.32 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.429 ' CE1' ' HD3' ' B' ' 87' ' ' LYS . 90.9 m-70 -157.47 69.59 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.583 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 42.1 t80 -163.77 138.32 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.514 HG22 ' O ' ' B' ' 85' ' ' LEU . 11.4 tt -161.19 138.2 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.0 111.668 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.563 ' O ' HD12 ' B' ' 8' ' ' ILE . 3.9 t80 -141.48 137.82 32.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.436 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.739 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.3 p90 -170.3 142.42 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.941 0.4 . . . . 0.0 112.024 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.405 ' CD1' ' HD3' ' B' ' 9' ' ' LYS . 42.7 m-85 -79.67 148.81 31.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.644 ' O ' HG22 ' B' ' 81' ' ' VAL . 40.2 tp -165.92 138.87 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.47 40.51 69.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.353 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 57.14 37.77 28.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.785 0.326 . . . . 0.0 110.928 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.644 HG22 ' O ' ' B' ' 78' ' ' LEU . 33.5 m -156.4 137.33 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.459 ' HB3' ' HE1' ' B' ' 62' ' ' PHE . . . -73.54 132.72 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.402 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.18 142.19 35.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.553 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.443 HD13 ' HD2' ' B' ' 75' ' ' TYR . 58.2 tp -138.87 137.33 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.147 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.9 HD22 HG21 ' B' ' 42' ' ' ILE . 50.8 tp -152.23 138.52 18.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -177.89 124.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.661 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.1 ptmm? -87.05 170.39 11.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.29 0.567 . . . . 0.0 112.337 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 48.2 m -154.58 131.11 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.632 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.508 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.803 ' N ' HG23 ' A' ' 70' ' ' THR . 66.8 mtm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.823 0.344 . . . . 0.0 111.356 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 65.4 mttp -157.3 137.62 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.185 0.517 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 46.0 p-10 -87.37 124.37 33.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.17 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 66' ' ' VAL . 24.1 m -76.14 148.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.276 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.57 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -158.68 127.61 1.89 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.397 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.949 HD13 HG23 ' C' ' 8' ' ' VAL . 2.7 pp -160.29 140.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.063 0.459 . . . . 0.0 111.348 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.402 ' NE2' ' CG2' ' B' ' 34' ' ' ILE . 50.2 tt0 -103.93 83.94 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.641 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.949 HG23 HD13 ' C' ' 6' ' ' ILE . 58.6 t . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.652 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 1.8 p30 . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.163 0.506 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.487 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.7 t -74.64 148.55 40.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.627 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -149.9 129.28 2.94 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.843 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -160.24 138.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 0.0 111.775 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.485 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 23.6 pt20 -117.79 80.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.13 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.541 HG22 ' OH ' ' B' ' 75' ' ' TYR . 29.0 t -69.58 141.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.928 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.2 m -87.41 139.05 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.432 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.646 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -84.13 117.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.212 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -76.14 -46.03 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.573 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -159.7 107.22 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.724 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.48 148.22 27.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.511 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 9.8 t70 -165.87 59.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.6 ptp 179.38 -163.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -68.39 137.28 54.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.856 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -56.91 -43.83 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.67 -44.24 93.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.01 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.01 -43.58 86.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.947 0.403 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.709 ' O ' HG23 ' A' ' 22' ' ' VAL . 62.8 mt-30 -59.42 -45.77 90.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.98 -44.43 96.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.917 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.77 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -67.73 -44.01 78.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.171 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 18' ' ' GLN . 59.8 t -65.8 -45.57 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.544 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.43 -41.59 84.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.218 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.66 -34.19 77.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.042 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.961 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.42 -40.5 73.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 109.787 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.6 m -57.38 -45.27 84.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.061 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.589 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 25.9 mt-30 -60.53 -44.56 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.476 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -50.46 -40.31 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.981 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.806 HD23 HD11 ' A' ' 38' ' ' ILE . 61.8 mt -65.33 -51.54 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.0 -29.28 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 11.5 mptt -82.04 -32.25 30.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.931 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -133.71 -43.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.008 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 22.9 t-20 66.53 49.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.582 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.2 mt -149.45 114.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.183 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' OE2' ' HA2' ' A' ' 59' ' ' GLY . 50.6 mt-10 -43.45 -49.25 7.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.764 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.482 ' HD3' ' HB3' ' D' ' 7' ' ' GLN . 33.8 ttpt -56.88 -56.94 15.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' OD2' HD12 ' A' ' 34' ' ' ILE . 59.5 m-20 -58.26 -43.73 88.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.056 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.806 HD11 HD23 ' A' ' 29' ' ' LEU . 85.1 mt -47.98 -53.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 111.383 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -64.63 -34.63 78.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -67.19 -60.32 2.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.571 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.507 -178.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.961 HD11 ' HA ' ' A' ' 25' ' ' ALA . 77.7 mt -58.56 -54.52 32.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HD3' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.83 -32.78 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.201 -179.466 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.664 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 59.0 mtpt -65.82 -47.1 76.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.492 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -61.3 -42.73 99.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.798 0.332 . . . . 0.0 110.969 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.451 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 10.0 m-85 -71.11 -42.41 69.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.664 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.2 p30 -64.4 -31.78 73.13 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -73.81 -40.46 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.134 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -82.68 -50.82 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.533 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.8 m-85 -88.37 -15.34 35.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 40.4 t30 94.13 134.32 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 122.849 0.459 . . . . 0.0 110.343 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 15.8 Cg_endo -56.83 167.59 2.93 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.723 2.282 . . . . 0.0 112.797 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.2 t -114.73 134.62 54.95 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.741 0.416 . . . . 0.0 111.012 0.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.585 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 32.0 m95 -101.16 128.97 47.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 112.451 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.469 ' CE1' HG23 ' A' ' 53' ' ' THR . 16.1 m-70 -104.06 136.87 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 38.6 t -144.12 152.43 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.418 HD11 HD11 ' B' ' 57' ' ' ILE . 58.6 mt -148.19 150.51 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.976 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -154.94 132.18 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.997 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.424 ' HA2' ' OE2' ' A' ' 35' ' ' GLU . . . -178.16 -133.03 1.8 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.315 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 8.3 ptm180 -176.36 41.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 157.71 85.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.706 ' CZ ' HG21 ' C' ' 8' ' ' VAL . 18.4 p90 -172.72 139.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.314 0.578 . . . . 0.0 112.495 -178.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.506 ' O ' HG23 ' B' ' 57' ' ' ILE . . . -88.73 132.87 11.47 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.3 m -125.66 142.26 51.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.451 0.626 . . . . 0.0 112.605 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -149.0 121.79 8.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.845 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' C' ' 4' ' ' THR . 25.2 t -158.82 163.85 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.853 -177.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 44.1 p -95.63 165.39 12.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 23.7 p80 -167.66 143.67 4.06 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.7 144.95 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.504 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 73.0 p -53.84 147.45 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.618 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 74.2 mmtt 61.29 36.61 17.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.472 ' CE1' ' CE ' ' A' ' 87' ' ' LYS . 83.0 m-70 -155.06 54.56 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.326 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.511 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.4 t80 -145.9 137.05 24.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.393 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.676 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.9 tt -160.45 141.2 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 121.071 0.462 . . . . 0.0 111.704 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.735 ' HD2' HD13 ' A' ' 84' ' ' LEU . 3.8 t80 -145.68 141.01 27.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.814 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.709 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -169.18 138.81 2.13 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.047 0.451 . . . . 0.0 112.148 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.19 154.25 20.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.356 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 6' ' ' ALA . 34.5 tp -154.97 131.03 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.015 0.436 . . . . 0.0 111.498 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 80' ' ' GLN . . . 65.5 -81.56 0.08 OUTLIER Glycine 0 CA--C 1.504 -0.627 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 79' ' ' GLY . 77.9 mt-30 -162.5 40.94 0.12 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.934 0.397 . . . . 0.0 110.114 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.38 133.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.194 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.66 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -76.38 137.77 40.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.463 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.7 mt -122.12 142.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.735 HD13 ' HD2' ' A' ' 75' ' ' TYR . 46.5 tp -143.49 139.35 29.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 74' ' ' ILE . 60.0 tp -152.26 141.57 21.5 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 68' ' ' HIS . 27.9 p90 -177.11 132.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.76 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.8 pttt -97.12 170.4 9.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.796 -179.856 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.688 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.769 0.319 . . . . 0.0 111.519 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.6 m -95.2 136.24 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 120.946 0.403 . . . . 0.0 111.384 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -88.5 130.27 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.402 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . 0.433 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.4 mmmt -86.63 -37.81 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.026 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -172.19 72.0 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.288 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -55.3 148.49 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.184 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.5 t70 -165.09 62.75 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.936 0.398 . . . . 0.0 111.343 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.494 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 21.2 ptm -178.13 -169.56 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' B' ' 17' ' ' MET . 59.5 m -64.33 141.27 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.433 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 24.5 pt-20 -59.16 -43.31 92.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.298 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.46 -37.96 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.068 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.494 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 65.3 mtt -66.42 -49.52 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.743 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.785 ' O ' HG23 ' B' ' 22' ' ' VAL . 17.4 pt20 -66.36 -40.42 89.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.695 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.8 -37.45 73.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.431 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -70.75 -33.56 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.276 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -68.76 -46.44 68.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.896 HG22 ' CZ ' ' B' ' 76' ' ' PHE . 60.5 t -60.7 -47.02 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.276 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.98 -46.56 77.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.111 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.33 -32.95 74.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.759 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.908 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -67.28 -37.86 84.13 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 109.671 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -62.34 -46.41 88.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -57.54 -44.63 85.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.513 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' B' ' 38' ' ' ILE . . . -56.37 -44.82 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.931 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 1.035 HD21 HD11 ' B' ' 38' ' ' ILE . 60.9 mt -58.12 -43.64 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.0 -31.2 71.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -80.36 -39.56 28.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.575 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 56.4 m-85 -127.71 -42.75 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' LEU . 23.4 t-20 70.23 50.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.437 ' O ' HG13 ' B' ' 38' ' ' ILE . 50.1 mt -147.62 131.4 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.523 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.406 ' HA ' HG11 ' B' ' 58' ' ' VAL . 10.8 pt-20 -46.6 -46.89 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.879 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.98 -57.2 13.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 111.304 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . 0.439 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -53.43 -43.02 67.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 1.035 HD11 HD21 ' B' ' 29' ' ' LEU . 75.2 mt -48.52 -40.6 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.98 77.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.096 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -49.78 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.544 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -63.85 -54.43 35.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.08 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' B' ' 25' ' ' ALA . 58.1 mt -58.55 -50.01 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.532 ' C ' ' HD2' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -61.62 -55.25 32.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -57.91 -45.6 86.26 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -56.16 -47.11 78.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.578 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 38.0 m-85 -71.19 -45.04 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -31.89 66.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 0.0 110.76 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.54 ' HD3' ' O ' ' B' ' 48' ' ' LYS . 4.3 tmtt? -76.58 -41.82 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.042 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -85.66 -57.48 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.1 m-85 -84.51 -21.24 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.9 m-20 93.6 142.48 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 122.644 0.378 . . . . 0.0 110.281 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 47.4 Cg_exo -56.21 168.83 1.78 Allowed 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.546 2.164 . . . . 0.0 113.123 -178.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.444 ' OG1' HG21 ' A' ' 67' ' ' THR . 15.2 t -118.51 120.08 36.45 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 111.34 0.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.613 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 22.4 m95 -94.26 135.92 35.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.927 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.494 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 20.8 m-70 -111.13 139.43 46.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.1 t -140.61 154.21 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.415 0.626 . . . . 0.0 112.599 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.571 HD12 HD23 ' B' ' 84' ' ' LEU . 53.6 mt -149.23 143.24 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.452 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.469 HG11 HD12 ' B' ' 38' ' ' ILE . 49.0 t -144.31 133.25 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 111.499 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' B' ' 60' ' ' ARG . . . 169.57 -135.12 3.43 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.879 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' B' ' 60' ' ' ARG . 52.3 ttm-85 175.04 46.94 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 110.925 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 38.7 t30 172.23 70.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.359 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 19.9 p90 -168.11 143.63 3.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.13 135.44 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.4 m -136.91 147.23 46.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 118.102 0.951 . . . . 0.0 113.268 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -146.06 128.6 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.397 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.591 HG12 ' N ' ' B' ' 67' ' ' THR . 32.8 t -156.38 168.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.157 -177.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.7 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.3 m -108.65 150.37 27.63 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.527 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.6 p80 -161.75 143.63 11.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.273 0.559 . . . . 0.0 112.29 -178.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.16 149.63 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.931 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 74.9 p -53.03 152.74 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.383 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.2 mmtp 62.2 40.35 11.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.345 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 92.6 m-70 -158.29 69.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.745 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.49 ' HB3' ' HB3' ' B' ' 12' ' ' ASP . 2.1 t80 -153.07 129.4 10.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.679 HD12 ' CB ' ' B' ' 18' ' ' GLN . 10.5 tt -158.99 145.58 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.357 0.599 . . . . 0.0 111.966 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . 0.647 ' HD2' HD13 ' B' ' 84' ' ' LEU . 3.8 t80 -156.79 133.89 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.09 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.896 ' CZ ' HG22 ' B' ' 22' ' ' VAL . 8.5 p90 -165.39 140.0 4.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 112.183 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.972 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 46.9 m-85 -77.27 144.16 38.37 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.893 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' B' ' 6' ' ' ALA . 50.4 tp -170.19 140.69 1.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.87 39.82 79.16 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' B' ' 80' ' ' GLN . 0.4 OUTLIER 58.04 35.33 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.654 0.264 . . . . 0.0 111.118 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.471 HG13 ' O ' ' B' ' 80' ' ' GLN . 27.8 m -159.89 128.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.139 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.972 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -70.55 133.14 46.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.298 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.711 HD12 ' HE1' ' B' ' 76' ' ' PHE . 56.8 mt -110.4 138.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' B' ' 75' ' ' TYR . 58.4 tp -129.86 140.56 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.512 ' O ' HG22 ' B' ' 74' ' ' ILE . 61.2 tp -156.33 145.12 20.2 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 17.6 p90 178.05 129.16 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.613 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -99.9 170.44 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.159 0.504 . . . . 0.0 112.009 -178.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' B' ' 68' ' ' HIS . 25.4 m -145.83 137.79 25.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.896 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.64 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mmm . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -156.79 122.8 4.87 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.679 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.5 p30 -170.21 127.82 0.85 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.502 0.667 . . . . 0.0 112.406 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.627 HG21 HD21 ' A' ' 84' ' ' LEU . 28.7 m -71.82 142.37 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.306 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.566 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -151.29 123.61 1.54 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.849 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.902 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.8 pp -160.41 142.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.145 0.497 . . . . 0.0 112.092 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' C' ' 7' ' ' GLN . 2.9 pt20 -103.69 90.01 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.083 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.706 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 40.6 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 111.366 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.7 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 42.1 p30 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.162 0.506 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.55 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.8 t -71.35 148.09 47.37 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.328 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . 0.624 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -152.07 123.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.293 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.917 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -161.49 142.3 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 0.0 111.68 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.482 ' HB3' ' HD3' ' A' ' 36' ' ' LYS . 26.2 pt20 -116.23 131.3 56.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.746 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' B' ' 62' ' ' PHE . 81.9 t -131.15 137.55 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 34.8 t70 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.696 0.284 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 19.6 m -100.1 138.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -92.58 129.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.323 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 74.8 mmtt -106.04 -33.39 7.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.297 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -150.68 136.24 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.861 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.08 138.28 16.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 111.574 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -145.86 57.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.098 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.451 ' HE1' ' HB3' ' A' ' 17' ' ' MET . 21.6 ptm -163.12 160.8 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.873 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -43.5 141.31 1.44 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.785 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.498 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 12.2 pt-20 -54.77 -45.09 74.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.578 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.29 -43.24 96.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.451 ' HB3' ' HE1' ' A' ' 13' ' ' MET . 85.3 mtp -61.28 -51.48 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.656 ' CB ' HD12 ' A' ' 74' ' ' ILE . 15.2 pt20 -60.49 -38.17 83.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -65.13 -44.34 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 110.182 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.49 -34.3 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.199 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.544 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -65.25 -44.0 89.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 109.856 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 18' ' ' GLN . 60.7 t -66.28 -43.53 91.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.451 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -65.45 -46.32 80.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 21' ' ' SER . 27.6 p -68.74 -31.01 69.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' CB ' HD11 ' A' ' 42' ' ' ILE . . . -68.01 -38.25 82.38 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.5 m -62.61 -46.56 87.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.368 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -57.16 -44.68 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.496 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -56.59 -45.18 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.986 HD21 HD11 ' A' ' 38' ' ' ILE . 54.7 mt -57.84 -43.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -67.52 -30.56 70.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.397 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HD2' ' CE1' ' A' ' 41' ' ' HIS . 99.5 mttt -79.7 -36.37 37.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.556 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 59.3 m-85 -132.91 -42.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 68.52 49.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 0.0 110.569 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 38' ' ' ILE . 43.7 mt -143.33 142.77 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.678 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.51 ' HG2' ' HA2' ' A' ' 59' ' ' GLY . 4.9 mp0 -49.55 -55.05 14.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.729 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -58.96 -53.13 61.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.398 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.427 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.3 m-20 -50.51 -44.22 56.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.678 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.986 HD11 HD21 ' A' ' 29' ' ' LEU . 75.4 mt -52.53 -41.84 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.75 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -64.03 -34.67 78.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.202 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.24 72.76 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.879 0.371 . . . . 0.0 111.395 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 76.5 m-70 -66.31 -55.92 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.566 HD11 ' CB ' ' A' ' 25' ' ' ALA . 60.3 mt -55.71 -51.13 62.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.066 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -59.65 -52.09 67.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.842 -178.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 68.0 mttm -63.78 -51.34 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 24' ' ' CYS . 93.6 mt-10 -52.13 -46.56 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.414 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.683 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 38.8 m-85 -75.41 -46.89 30.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.649 0.261 . . . . 0.0 111.343 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 5.5 t70 -52.54 -36.92 56.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 110.777 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -85.82 -42.0 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -75.25 -61.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.508 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.6 m-85 -84.1 -17.63 39.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.203 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.65 148.19 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.431 0.457 . . . . 0.0 109.821 -179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.3 167.88 5.58 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 121.917 1.745 . . . . 0.0 112.138 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.4 t -116.29 126.99 54.32 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.915 0.486 . . . . 0.0 110.605 0.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.683 ' CE2' ' HB3' ' A' ' 46' ' ' PHE . 23.5 m95 -105.4 134.45 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 20.7 m-70 -110.26 139.61 45.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.188 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.5 t -137.74 151.92 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 112.199 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.484 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 59.1 mt -149.53 145.49 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.032 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 82' ' ' ALA . 51.3 t -156.17 138.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.936 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA2' ' HG2' ' A' ' 35' ' ' GLU . . . 179.29 -137.39 3.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.459 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 55.5 ttp180 -174.42 39.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.787 0.327 . . . . 0.0 110.783 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.627 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 24.1 t-20 157.92 83.34 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.957 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 21.4 p90 -173.16 136.08 0.62 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.2 0.524 . . . . 0.0 112.354 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -86.88 135.28 13.11 Favored Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.349 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.451 ' HB2' HD11 ' C' ' 6' ' ' ILE . 28.6 m -129.3 144.16 51.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.346 0.573 . . . . 0.0 112.239 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 11.9 t80 -145.2 126.55 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.021 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.621 HG12 ' N ' ' A' ' 67' ' ' THR . 39.9 t -157.95 168.53 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.51 -177.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.2 m -118.95 151.49 38.08 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 26.5 p80 -167.13 143.48 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 11.9 pt-20 -65.06 150.79 47.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.792 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.72 HG23 ' N ' ' C' ' 1' ' ' MET . 72.6 p -53.9 149.95 8.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.587 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.729 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 68.8 36.57 2.62 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.415 -179.553 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.436 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 60.6 m80 -158.37 65.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.589 ' HE1' HD11 ' A' ' 84' ' ' LEU . 37.1 t80 -164.17 140.37 6.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.85 ' O ' HD12 ' A' ' 84' ' ' LEU . 10.1 tt -161.43 138.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.151 0.501 . . . . 0.0 111.617 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -142.01 137.97 31.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.93 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 8.8 p90 -166.16 139.78 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.061 0.458 . . . . 0.0 112.027 -179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.487 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 61.8 m-85 -80.32 146.13 31.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.556 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 6' ' ' ALA . 47.8 tp -170.16 143.89 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 111.35 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.97 41.45 92.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.336 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 81' ' ' VAL . 70.3 mt-30 55.26 34.37 22.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.6 m -159.3 137.8 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.487 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -69.89 144.97 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 78' ' ' LEU . 59.1 mt -132.68 137.99 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 74' ' ' ILE . 63.0 tp -132.72 145.74 51.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.573 ' O ' HG22 ' A' ' 74' ' ' ILE . 60.6 tp -153.36 141.95 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.645 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 6.1 p90 179.46 130.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 54' ' ' TRP . 56.3 pttt -103.98 170.23 8.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.355 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.616 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . . . . . . 0 C--O 1.23 0.048 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.5 m -94.79 136.69 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.018 0.437 . . . . 0.0 111.416 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.63 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -86.29 136.66 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.264 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -117.09 -51.29 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -96.17 -79.87 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . 0.591 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . 58.2 131.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 112.157 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.44 ' OD2' ' HB3' ' B' ' 73' ' ' PHE . 12.4 p-10 -178.37 68.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.995 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' MET . . . . . 0.462 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 19.8 ptm -169.73 178.67 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.379 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.1 p -51.16 136.33 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.444 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 50.4 mt-10 -53.58 -40.92 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.928 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -60.44 -46.4 90.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.519 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . 0.462 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 67.4 mtt -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.754 0.312 . . . . 0.0 111.236 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.843 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.7 pt20 -65.23 -37.53 87.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.886 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -70.88 -39.95 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.19 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -71.53 -35.41 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.546 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.4 p -67.76 -41.6 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.293 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 18' ' ' GLN . 93.3 t -64.42 -47.84 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -68.73 -42.6 77.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.059 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.12 -33.18 75.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.945 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . 0.784 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.99 -39.06 76.14 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.162 0.505 . . . . 0.0 109.942 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.506 ' HA ' HD21 ' B' ' 78' ' ' LEU . 87.6 m -61.06 -46.35 91.04 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.507 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.74 -39.67 89.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.001 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -56.26 -45.65 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.22 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.819 ' CD2' HD11 ' B' ' 38' ' ' ILE . 52.3 mt -63.39 -47.11 83.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.71 -30.57 70.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.494 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -87.59 -36.07 17.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.51 -43.69 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 65.16 39.42 5.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 110.41 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.558 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.7 mt -152.41 128.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.486 ' HA ' HD12 ' B' ' 38' ' ' ILE . 24.1 pt-20 -49.48 -48.15 48.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.296 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 35' ' ' GLU . 17.3 ttpp -59.31 -56.21 24.96 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -52.86 -41.99 64.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.819 HD11 ' CD2' ' B' ' 29' ' ' LEU . 85.6 mt -51.42 -52.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.033 0.444 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -66.88 -30.33 70.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.591 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.472 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -66.36 -62.76 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -66.1 -43.1 88.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.879 -178.463 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.784 HD11 ' HA ' ' B' ' 25' ' ' ALA . 79.9 mt -60.99 -44.52 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 59.5 tttm -63.34 -53.55 50.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.702 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -58.66 -32.8 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.268 . . . . 0.0 111.459 -179.232 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' B' ' 44' ' ' LYS . 5.5 tp10 -66.99 -49.08 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.59 -39.1 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 17.6 m-20 -58.96 -41.44 87.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.048 0.451 . . . . 0.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -72.32 -42.22 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.665 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.45 -63.3 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' TYR . . . . . 0.556 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.3 m-85 -82.03 -12.72 58.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.1 m120 91.01 140.61 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 122.752 0.421 . . . . 0.0 110.479 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 41.8 Cg_endo -66.93 171.68 10.81 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.543 2.162 . . . . 0.0 112.963 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 53' ' ' THR . 11.1 t -116.7 117.27 29.34 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 122.777 0.431 . . . . 0.0 111.213 0.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' TRP . . . . . 0.682 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.6 m95 -88.02 119.85 28.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.914 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 29.0 m-70 -91.85 139.25 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' CYS . . . . . 0.411 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 47.9 t -140.39 148.64 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.391 0.615 . . . . 0.0 112.557 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' B' ' 62' ' ' PHE . 52.8 mt -149.67 144.53 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.684 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.401 HG13 ' O ' ' B' ' 82' ' ' ALA . 60.6 t -152.54 139.71 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 111.371 -179.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.86 -128.72 1.46 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.3 ptt180 -176.96 39.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.269 . . . . 0.0 111.426 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 163.53 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.714 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' B' ' 57' ' ' ILE . 2.4 p90 -162.85 132.45 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -98.74 142.46 16.09 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 177.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -159.7 152.83 21.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.124 0.962 . . . . 0.0 113.279 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' TYR . . . . . 0.75 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 3.7 t80 -133.88 135.0 43.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.759 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.56 HG12 ' N ' ' B' ' 67' ' ' THR . 33.0 t -156.69 165.47 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' THR . . . . . 0.56 ' N ' HG12 ' B' ' 66' ' ' VAL . 59.2 m -112.17 155.43 23.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.461 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.4 p80 -165.56 147.72 7.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.262 0.553 . . . . 0.0 112.49 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.28 139.89 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.771 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -56.21 150.6 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.458 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . 0.618 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 61.41 38.11 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -158.34 69.01 0.49 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.555 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.874 ' CE1' HD11 ' B' ' 84' ' ' LEU . 48.1 t80 -162.51 140.25 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.117 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.735 HD12 ' CB ' ' B' ' 18' ' ' GLN . 10.9 tt -157.2 137.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.337 0.589 . . . . 0.0 111.975 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -135.52 137.8 42.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.374 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 8.6 p90 -167.47 141.37 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.436 -0.505 . . . . 0.0 112.155 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 56.5 m-85 -77.31 149.9 35.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.245 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' B' ' 6' ' ' ALA . 41.0 tp -167.37 138.68 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 111.331 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLY . . . . . 0.422 ' HA3' HD13 ' B' ' 29' ' ' LEU . . . 53.93 39.95 63.96 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.37 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 81' ' ' VAL . 99.0 mm-40 58.41 37.89 25.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.852 0.358 . . . . 0.0 111.057 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 78' ' ' LEU . 31.3 m -158.72 136.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.722 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.401 ' O ' HG13 ' B' ' 58' ' ' VAL . . . -69.83 137.45 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' B' ' 78' ' ' LEU . 51.3 mt -127.12 140.24 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' LEU . . . . . 0.874 HD11 ' CE1' ' B' ' 73' ' ' PHE . 57.9 tp -137.47 141.82 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.991 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 52.7 tp -156.12 142.22 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.708 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.529 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.6 p90 -177.28 127.17 0.15 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.045 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -87.34 159.53 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.332 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.4 m -144.53 138.43 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.526 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.72 ' N ' HG23 ' A' ' 70' ' ' THR . 22.4 ptp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.682 0.277 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -153.16 136.03 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 111.263 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ASP . . . . . 0.687 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 40.5 p30 -70.3 127.8 34.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.875 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' THR . . . . . 0.52 HG22 ' HB ' ' A' ' 66' ' ' VAL . 11.6 t -75.55 135.95 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.085 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . 0.561 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -135.43 117.75 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.259 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.599 ' C ' HD12 ' C' ' 6' ' ' ILE . 2.5 pp -161.9 170.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' GLN . . . . . 0.414 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 3.0 pm0 -163.17 120.94 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 110.925 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' ' 60' ' ' ARG . 40.6 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 3' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' B' ' 65' ' ' TYR . 42.8 m-20 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.653 0.263 . . . . 0.0 111.576 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 4' ' ' THR . . . . . 0.554 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.6 t -80.5 141.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.05 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.9 135.39 7.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.42 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -156.01 170.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 111.544 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' GLN . . . . . 0.522 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.9 pt20 -159.95 69.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.67 142.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' D' ' 9' ' ' ASP . 9.8 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.696 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.825 0.345 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -178.85 -44.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -59.91 141.2 55.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.788 ' CG ' HD11 ' A' ' 78' ' ' LEU . 3.4 tpm_? -170.22 134.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.336 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -62.73 -80.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.622 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.567 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 60.48 120.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.657 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -96.07 136.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-O 121.126 0.489 . . . . 0.0 111.93 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.665 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -95.66 146.68 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.675 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -137.33 -44.93 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.517 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.3 m120 -110.15 49.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.754 0.312 . . . . 0.0 111.305 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.634 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -57.87 124.99 21.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.74 0.305 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -161.55 52.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.712 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.7 ttm -170.01 157.52 6.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.3 m -43.1 140.82 1.34 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.48 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.5 mt-10 -52.88 -48.87 66.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.682 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.38 -43.08 88.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.23 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 66.5 mtt -60.8 -51.27 70.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.039 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.875 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.0 pt20 -62.37 -39.08 92.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.07 -41.0 87.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.606 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.54 -36.88 81.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.682 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.8 t -67.79 -44.22 77.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.006 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 18' ' ' GLN . 54.2 t -62.53 -47.49 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.654 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.86 -43.67 78.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.984 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.64 -32.32 73.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.386 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.744 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -68.73 -38.57 80.27 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.72 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -59.68 -47.73 84.47 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.162 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.93 -39.72 82.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.872 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.818 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -55.64 -45.42 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.128 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 38' ' ' ILE . 50.6 mt -61.67 -48.95 78.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.042 0.449 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.54 -32.74 74.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.466 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.69 -33.76 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 32' ' ' TYR . 3.2 m-85 -123.98 -46.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.647 ' O ' HD13 ' A' ' 34' ' ' ILE . 49.8 t30 65.06 43.6 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.383 . . . . 0.0 110.626 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 33' ' ' ASN . 40.6 mm -148.07 131.0 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 24.2 pt-20 -52.66 -49.11 65.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.117 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 17.0 ttpp -66.26 -54.67 22.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -55.99 -48.23 76.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.44 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 29' ' ' LEU . 72.1 mt -53.67 -48.98 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.025 0.44 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -64.49 -32.1 73.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.913 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.32 14.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -62.83 -49.05 76.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.545 -178.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.744 HD11 ' HA ' ' A' ' 25' ' ' ALA . 60.0 mt -60.88 -42.87 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.638 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -56.84 -52.32 65.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.793 0.33 . . . . 0.0 110.905 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.87 -45.34 90.42 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' OE1' ' CE1' ' A' ' 41' ' ' HIS . 57.4 mt-10 -56.47 -48.07 77.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -65.45 -39.49 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' OD1' ' HD2' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -62.69 -38.57 90.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.995 0.426 . . . . 0.0 110.843 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.2 tmtt? -70.7 -40.0 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -82.78 -55.94 4.13 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -87.59 -18.28 30.05 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 42.8 t30 96.63 138.26 0.03 OUTLIER Pre-proline 0 N--CA 1.473 0.713 0 O-C-N 123.381 0.425 . . . . 0.0 110.277 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 41.1 Cg_exo -56.72 166.59 3.62 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.546 2.164 . . . . 0.0 112.797 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -120.42 123.46 43.08 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.829 0.452 . . . . 0.0 110.995 0.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.606 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 20.8 m95 -94.59 133.51 38.15 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.179 0.514 . . . . 0.0 111.955 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.49 ' ND1' HG13 ' B' ' 66' ' ' VAL . 21.2 m-70 -106.82 133.92 50.75 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.797 ' C ' HD12 ' A' ' 57' ' ' ILE . 48.3 t -135.25 139.57 44.54 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.029 -0.668 . . . . 0.0 112.444 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.83 HD13 HD23 ' A' ' 84' ' ' LEU . 2.6 mp -139.92 143.69 29.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.38 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.0 t -151.51 139.21 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.967 0.413 . . . . 0.0 111.474 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.97 -131.28 2.0 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.167 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.4 ptt180 -178.35 37.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 111.367 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 170.62 79.39 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.205 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.622 ' CE2' HG21 ' A' ' 57' ' ' ILE . 3.4 p90 -168.28 133.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.519 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -96.71 143.43 16.73 Favored Glycine 0 N--CA 1.452 -0.243 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 177.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.587 ' HB3' HD13 ' B' ' 57' ' ' ILE . 21.6 m -160.61 154.44 22.62 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.403 ' HB3' ' HD2' ' B' ' 43' ' ' LYS . 6.9 m-85 -136.52 137.18 40.03 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 114.127 -1.397 . . . . 0.0 109.375 178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.538 ' HB ' HG22 ' C' ' 4' ' ' THR . 7.1 t -155.78 159.12 3.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.589 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 86.1 m -108.85 155.15 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 22.5 p80 -167.63 146.54 4.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.314 0.578 . . . . 0.0 112.311 -178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -61.09 154.93 21.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.335 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.492 HG23 ' N ' ' C' ' 1' ' ' MET . 76.4 p -56.77 145.74 28.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.792 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 6.9 mmpt? 64.84 14.31 9.12 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.691 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.492 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 46.0 m170 -122.43 58.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.39 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.552 ' HE1' HD11 ' A' ' 84' ' ' LEU . 23.3 t80 -158.45 139.69 13.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.823 0.344 . . . . 0.0 111.558 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.617 HD12 ' CB ' ' A' ' 18' ' ' GLN . 9.5 tt -159.85 139.53 3.42 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.372 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.719 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 3.8 t80 -144.19 138.56 28.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.654 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.828 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.4 p90 -167.99 138.94 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.964 0.411 . . . . 0.0 111.487 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.448 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 7.7 m-85 -80.12 145.37 32.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.74 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.788 HD11 ' CG ' ' A' ' 4' ' ' ARG . 60.1 tp -170.24 145.29 2.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.281 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.13 40.71 84.23 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.394 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 81' ' ' VAL . 13.9 mp0 54.24 36.29 24.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 80' ' ' GLN . 29.6 m -158.44 134.4 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.719 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.89 130.59 42.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -112.77 138.28 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.695 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.83 HD23 HD13 ' A' ' 57' ' ' ILE . 61.9 tp -134.22 139.12 45.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 74' ' ' ILE . 57.9 tp -154.97 136.75 14.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.148 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.496 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.2 p90 -175.15 127.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.392 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.3 pttt -95.56 170.37 9.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.152 0.501 . . . . 0.0 111.814 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.9 t -150.1 136.35 18.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.795 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.529 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mmm . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.743 0.306 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.85 136.03 57.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -157.98 133.77 9.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.488 ' NH1' ' HB2' ' B' ' 4' ' ' ARG . 0.1 OUTLIER 60.97 42.2 13.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.024 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -73.02 -134.32 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.286 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.779 ' N ' HD13 ' B' ' 78' ' ' LEU . . . 63.73 127.14 0.01 OUTLIER 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.753 0.311 . . . . 0.0 111.487 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.499 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.2 m -95.31 136.28 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 111.681 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.878 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -81.65 148.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.254 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -137.73 -41.23 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.352 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.451 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 76.9 m-20 -126.34 52.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.416 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.878 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -58.17 137.01 57.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.321 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -178.71 62.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.5 ttm -175.81 158.97 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.727 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.1 m -44.69 140.76 2.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.565 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.481 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 50.4 mt-10 -51.53 -47.8 63.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.723 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.529 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.6 pt-20 -57.82 -44.51 86.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.561 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 61.2 mtt -63.98 -46.11 86.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.153 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.838 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.7 pt20 -66.76 -39.28 87.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.51 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.5 pt20 -72.9 -35.98 67.22 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.22 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.501 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.3 t0 -69.33 -37.04 77.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.556 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 59.7 m -67.72 -42.88 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.03 0.443 . . . . 0.0 110.231 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.838 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.4 t -63.55 -47.2 92.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.655 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -68.34 -43.4 77.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.74 -34.96 78.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.894 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.881 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -71.02 -40.03 72.01 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.314 0.578 . . . . 0.0 109.538 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -58.86 -45.93 88.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.275 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.621 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 99.1 mm-40 -59.18 -48.02 83.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.608 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' B' ' 41' ' ' HIS . . . -46.95 -43.85 19.48 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.999 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.91 ' CD2' HD11 ' B' ' 38' ' ' ILE . 50.8 mt -65.16 -42.21 93.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.8 -37.32 85.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.775 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' B' ' 27' ' ' GLN . 44.3 pttt -86.56 -34.77 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.616 ' HD1' ' HG3' ' B' ' 31' ' ' LYS . 55.5 m-85 -118.26 -45.6 2.63 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.999 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' B' ' 29' ' ' LEU . 49.6 t30 65.57 43.53 3.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.904 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.516 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -147.97 121.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.62 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.4 OUTLIER -44.34 -44.85 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.06 -179.364 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.515 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.4 ttpm? -59.16 -56.13 26.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 111.226 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.47 ' HB3' ' NE2' ' B' ' 41' ' ' HIS . 55.3 m-20 -61.61 -39.48 91.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.721 -179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.91 HD11 ' CD2' ' B' ' 29' ' ' LEU . 95.9 mt -47.45 -49.14 9.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 111.225 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.591 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.43 89.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 0.0 111.623 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.612 ' CE1' ' CE1' ' B' ' 32' ' ' TYR . 5.4 m-70 -64.19 -59.67 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.34 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.881 HD11 ' HA ' ' B' ' 25' ' ' ALA . 63.7 mt -59.01 -36.61 63.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.623 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.403 ' HD2' ' HB3' ' A' ' 65' ' ' TYR . 60.8 tttm -60.84 -59.46 5.35 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -66.81 -41.3 87.74 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 51.6 mm-40 -54.64 -48.46 72.24 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -72.69 -45.01 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.49 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -32.76 67.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 110.623 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.531 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -75.77 -46.11 32.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.953 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -80.1 -59.04 2.87 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.546 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.0 m-85 -84.51 -13.39 52.05 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 4.8 m120 88.83 141.21 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.388 0 C-N-CA 122.546 0.339 . . . . 0.0 110.134 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.452 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -60.01 172.67 2.2 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.428 2.086 . . . . 0.0 112.736 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.851 HG22 ' O ' ' B' ' 88' ' ' SER . 9.9 t -117.18 112.33 20.69 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 122.881 0.472 . . . . 0.0 111.301 0.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.726 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.4 m95 -88.58 122.88 32.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.033 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' B' ' 85' ' ' LEU . 32.4 m-70 -96.6 140.05 31.78 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.509 ' O ' HD13 ' B' ' 57' ' ' ILE . 42.2 t -136.69 144.23 43.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.472 0.653 . . . . 0.0 112.501 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.587 HD13 ' HB3' ' A' ' 64' ' ' SER . 31.3 mm -137.59 141.8 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.587 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.496 HG12 ' HB2' ' B' ' 35' ' ' GLU . 47.2 t -154.59 135.44 4.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.857 0.36 . . . . 0.0 111.457 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.57 -142.74 6.29 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.838 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 63.1 mtm-85 -160.48 28.7 0.16 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.543 0.211 . . . . 0.0 111.46 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 35.0 t30 167.33 82.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.523 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 28.3 p90 -165.51 136.88 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.59 137.4 14.07 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.8 m -137.42 148.88 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.719 0.759 . . . . 0.0 112.729 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 2.4 t80 -148.23 131.78 16.77 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.253 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.601 HG12 ' N ' ' B' ' 67' ' ' THR . 45.2 t -158.68 165.82 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.12 -178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.601 ' N ' HG12 ' B' ' 66' ' ' VAL . 93.1 m -116.39 150.35 37.9 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 25.5 p80 -166.06 142.37 5.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.001 0.429 . . . . 0.0 112.038 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -64.36 154.56 35.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.791 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 42.5 p -57.77 152.68 15.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.794 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 43.9 mmtm 65.87 38.3 5.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.214 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 83.2 m-70 -164.82 69.55 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.05 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.533 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 1.9 t80 -165.45 125.35 1.8 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.396 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.683 ' O ' HD12 ' B' ' 84' ' ' LEU . 13.4 tt -150.81 141.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.2 0.524 . . . . 0.0 111.543 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.658 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 48.9 t80 -147.17 139.14 24.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.65 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' B' ' 22' ' ' VAL . 8.4 p90 -167.06 139.07 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.065 0.459 . . . . 0.0 111.756 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 8.1 m-85 -82.58 148.25 28.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.433 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.779 HD13 ' N ' ' B' ' 6' ' ' ALA . 57.2 tp -169.92 143.92 2.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.772 0.32 . . . . 0.0 111.324 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.83 41.41 83.53 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.566 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.534 ' HG3' HD13 ' D' ' 12' ' ' LEU . 50.9 tt0 56.24 35.71 26.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.135 0.493 . . . . 0.0 110.581 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.49 ' O ' HD12 ' B' ' 83' ' ' ILE . 29.0 m -158.01 132.84 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.883 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.658 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -76.58 137.56 39.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.49 HD12 ' O ' ' B' ' 81' ' ' VAL . 4.4 mp -125.09 140.64 47.56 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.648 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.683 HD12 ' O ' ' B' ' 74' ' ' ILE . 63.8 tp -132.32 144.36 50.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.46 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.672 HD22 HG21 ' B' ' 42' ' ' ILE . 56.7 tp -159.27 138.53 11.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.533 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.6 p90 -177.4 129.74 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.203 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.726 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.7 ptpt -78.98 162.65 25.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.4 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.851 ' O ' HG22 ' B' ' 53' ' ' THR . 51.0 m -143.51 134.38 25.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.94 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.527 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.492 ' N ' HG23 ' A' ' 70' ' ' THR . 66.6 mtm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.806 0.336 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -155.03 135.7 13.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.532 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -78.74 121.52 24.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.04 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 66' ' ' VAL . 14.5 t -72.41 142.79 48.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.105 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.65 135.11 7.51 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.486 -0.864 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.0 pt -154.43 170.1 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.015 0.436 . . . . 0.0 111.577 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.519 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 21.9 pt20 -163.52 69.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.168 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.424 HG11 ' HA ' ' A' ' 60' ' ' ARG . 58.8 t -69.62 133.03 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.462 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.792 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.683 ' HD3' HD21 ' C' ' 12' ' ' LEU . 15.5 ptp180 -130.91 132.4 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.046 0.45 . . . . 0.0 111.444 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -81.77 58.69 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.067 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.683 HD21 ' HD3' ' C' ' 10' ' ' ARG . 87.4 mt -40.69 -39.36 1.06 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.503 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.15 134.01 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' C' ' 17' ' ' HIS . . . 177.4 -137.87 3.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.023 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.05 -48.27 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.954 0.407 . . . . 0.0 110.525 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -71.45 -31.56 67.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.98 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' C' ' 14' ' ' GLY . 93.2 m-70 67.85 133.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.836 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.718 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.523 ' HB3' HG22 ' B' ' 67' ' ' THR . 68.1 mtm . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.88 0.372 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -86.7 131.89 34.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.761 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.513 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.0 p-10 -81.96 118.22 22.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.472 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.587 HG22 ' HB ' ' B' ' 66' ' ' VAL . 15.2 t -76.72 140.09 40.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.92 135.73 7.55 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.546 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.4 pt -156.1 170.34 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.08 0.467 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -159.14 74.97 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.577 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.0 t -69.28 144.7 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.922 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.9 p30 -178.93 43.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.541 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.62 ' CZ ' HD11 ' D' ' 12' ' ' LEU . 76.5 mtp180 -67.28 131.28 45.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.059 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.5 48.81 1.68 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.06 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.62 HD11 ' CZ ' ' D' ' 10' ' ' ARG . 87.6 mt -78.17 50.1 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.518 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.45 -52.31 27.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.92 0.39 . . . . 0.0 110.845 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.35 -141.67 16.41 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.587 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.477 ' HB2' ' NZ ' ' D' ' 15' ' ' LYS . 10.4 mtmp? -72.11 -49.0 39.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.004 0.43 . . . . 0.0 110.541 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 95.3 p -67.57 -133.63 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.476 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -172.58 131.25 0.56 Allowed 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.75 0.31 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.895 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.2 tpp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.73 0.3 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -176.42 145.06 0.56 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 111.299 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p30 48.25 54.25 10.58 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.203 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -79.71 48.45 0.94 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 179.245 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -67.23 -32.85 74.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.896 0.379 . . . . 0.0 110.961 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.807 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -48.61 124.97 9.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.825 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.538 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -88.7 137.92 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.116 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.897 HG12 ' HB2' ' A' ' 11' ' ' ALA . 9.2 tp -84.17 141.65 14.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.594 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.757 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -117.17 -32.08 5.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.555 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -155.03 59.73 0.66 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 111.452 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.897 ' HB2' HG12 ' A' ' 8' ' ' ILE . . . -56.62 142.15 40.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.356 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -175.47 52.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.652 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.491 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 97.4 mtp -156.02 145.19 20.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.688 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -46.06 147.82 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.21 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' OE1' ' NE2' ' A' ' 18' ' ' GLN . 5.4 mm-40 -42.72 -39.5 2.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.46 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.51 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.5 pt-20 -69.48 -44.42 71.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.022 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.491 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 66.0 mtt -62.05 -47.82 83.01 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.423 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.808 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.9 pt20 -63.86 -38.53 91.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.532 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.51 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 19.0 pt20 -71.21 -40.78 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.676 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -37.45 83.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.828 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.491 ' OG ' HD23 ' A' ' 85' ' ' LEU . 47.6 t -67.92 -45.44 74.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.898 0.38 . . . . 0.0 110.264 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.9 t -65.51 -44.98 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.561 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -67.95 -40.93 83.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.341 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -65.38 -34.05 77.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.886 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.885 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.08 -38.65 75.77 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 109.922 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.6 m -60.92 -45.13 95.88 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.18 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 85.9 mt-30 -59.37 -45.2 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.175 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.618 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -54.42 -42.77 70.88 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.206 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.863 ' CD2' HD11 ' A' ' 38' ' ' ILE . 48.6 mt -61.67 -48.1 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.609 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 10.5 pt-20 -67.42 -28.29 67.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.101 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.701 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -86.01 -21.16 27.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.302 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.701 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 25.9 m-85 -145.51 -45.64 0.21 Allowed 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.543 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 32' ' ' TYR . 49.6 t30 68.99 45.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 38' ' ' ILE . 54.8 mt -137.16 126.01 35.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.625 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -45.06 -47.56 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.082 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.8 ttpp -68.06 -52.84 30.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.019 0.438 . . . . 0.0 111.253 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.447 ' HB3' ' NE2' ' A' ' 41' ' ' HIS . 1.3 m-20 -56.19 -41.91 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.39 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.863 HD11 ' CD2' ' A' ' 29' ' ' LEU . 93.4 mt -50.67 -44.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.98 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -64.03 -36.41 83.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.532 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -66.8 -46.17 76.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.675 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.583 ' HD2' ' HB1' ' A' ' 28' ' ' ALA . 7.8 m-70 -63.9 -54.01 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.156 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.885 HD11 ' HA ' ' A' ' 25' ' ' ALA . 60.6 mt -60.41 -46.51 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.108 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 12.5 tmtt? -56.42 -53.34 58.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.535 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -61.01 -46.27 91.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 41' ' ' HIS . 51.4 mt-10 -55.95 -46.0 78.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.683 0.277 . . . . 0.0 111.429 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.53 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 23.1 m-85 -73.42 -44.55 58.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -57.83 -35.75 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 111.241 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -82.95 -39.65 21.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.014 0.435 . . . . 0.0 111.187 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -79.54 -64.33 1.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.5 m-85 -83.27 -18.65 38.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.7 m-20 93.62 143.73 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.398 0 C-N-CA 122.74 0.416 . . . . 0.0 110.125 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.438 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.5 Cg_endo -58.41 169.87 2.78 Favored 'Trans proline' 0 CA--C 1.533 0.453 0 C-N-CA 122.595 2.197 . . . . 0.0 112.867 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 53' ' ' THR . 14.1 t -115.18 117.41 30.45 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 122.526 0.33 . . . . 0.0 111.21 0.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.628 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 23.3 m95 -95.28 131.1 41.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.385 0.612 . . . . 0.0 111.95 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.459 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 31.6 m-70 -110.83 138.99 46.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.091 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 52.4 t -139.01 153.39 48.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.559 0.695 . . . . 0.0 112.639 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.418 HD12 HD23 ' A' ' 84' ' ' LEU . 58.9 mt -149.89 146.02 17.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.559 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -154.65 136.31 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.046 0.45 . . . . 0.0 111.112 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.36 -135.24 2.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.402 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.61 ' HG3' HD21 ' C' ' 12' ' ' LEU . 0.0 OUTLIER -174.19 35.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.561 0.22 . . . . 0.0 111.356 -179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 165.46 81.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.818 -179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.466 ' CD2' ' CB ' ' B' ' 62' ' ' PHE . 18.4 p90 -166.18 139.05 4.01 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.21 146.48 18.21 Favored Glycine 0 C--N 1.33 0.215 0 N-CA-C 110.174 -1.17 . . . . 0.0 110.174 177.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.403 ' OG ' HG12 ' B' ' 57' ' ' ILE . 39.5 t -159.68 154.26 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.721 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 17.0 m-85 -135.57 139.79 44.16 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 114.303 -1.317 . . . . 0.0 109.752 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.883 HG11 ' CZ ' ' A' ' 86' ' ' PHE . 21.7 t -157.73 159.66 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.019 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.507 HG23 ' O ' ' C' ' 1' ' ' MET . 92.7 m -119.47 144.51 46.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -160.95 145.55 13.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.389 . . . . 0.0 111.727 -178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.4 pt-20 -61.99 154.44 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.488 HG22 ' CE ' ' C' ' 2' ' ' LYS . 74.3 p -56.25 147.75 20.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.884 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 60.09 37.31 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.998 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.431 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 53.6 m80 -150.25 54.77 0.92 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.681 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 8.7 t80 -165.36 140.36 5.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.312 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.445 HG22 ' SD ' ' A' ' 13' ' ' MET . 12.0 tt -155.93 133.72 2.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.614 ' OH ' HG21 ' C' ' 8' ' ' VAL . 46.2 t80 -137.81 133.94 34.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.563 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.641 ' CZ ' HG22 ' A' ' 22' ' ' VAL . 7.4 p90 -165.62 143.99 6.04 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.814 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 62.6 m-85 -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.826 178.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.807 HD13 ' HB2' ' A' ' 6' ' ' ALA . 27.3 tp -156.33 134.78 11.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.021 0.438 . . . . 0.0 111.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.457 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 67.15 -66.64 0.22 Allowed Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.895 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.735 HE21 HD13 ' C' ' 12' ' ' LEU . 39.1 tt0 178.9 37.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG12 ' NH2' ' A' ' 60' ' ' ARG . 32.5 m -160.41 137.43 2.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.995 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.814 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -72.26 136.43 46.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.082 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.7 mt -125.06 135.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD21 ' HE2' ' A' ' 86' ' ' PHE . 55.5 tp -131.42 142.25 49.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 42' ' ' ILE . 56.6 tp -160.1 143.46 13.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.76 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.883 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 21.2 p90 -179.57 131.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.628 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -95.89 149.29 21.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.479 -179.076 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -117.99 133.81 55.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.668 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.505 -179.836 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 83.3 m 62.72 134.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.445 ' OD1' HG21 ' B' ' 26' ' ' THR . 2.9 p30 -61.65 137.77 58.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.513 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 5.4 tmm_? -176.64 130.87 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.467 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.513 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 13.7 tppt? -166.33 -126.46 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.155 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.619 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 62.3 132.27 0.01 OUTLIER 'General case' 0 C--O 1.23 0.047 0 CA-C-N 117.967 0.349 . . . . 0.0 110.98 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' B' ' 77' ' ' TYR . 33.3 m -87.79 134.96 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-O 120.995 0.426 . . . . 0.0 111.519 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.694 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.7 mp -91.03 144.77 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -139.55 -42.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.516 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 4.5 m120 -115.62 51.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.557 ' HB1' ' OE1' ' B' ' 18' ' ' GLN . . . -64.73 132.53 49.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.654 0.264 . . . . 0.0 110.564 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 2.2 m-20 -153.0 53.08 0.76 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 111.415 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.449 ' HG3' ' HG3' ' B' ' 18' ' ' GLN . 20.5 ptp -176.54 -174.67 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.073 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.9 m -65.08 143.14 58.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.453 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -51.95 -40.68 61.22 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.245 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.532 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.7 pt-20 -59.51 -43.25 93.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.768 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 76.7 mtp -65.29 -42.88 92.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.602 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.752 ' O ' HG23 ' B' ' 22' ' ' VAL . 54.5 mt-30 -66.93 -44.21 81.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.532 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.4 pt20 -69.3 -33.83 73.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' B' ' 23' ' ' GLU . 65.2 t0 -66.5 -40.37 89.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.507 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -68.42 -41.99 79.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.908 0.385 . . . . 0.0 110.127 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' ' 18' ' ' GLN . 49.9 t -65.92 -45.45 91.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.73 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.517 ' HG2' ' HA ' ' B' ' 20' ' ' ASP . 12.4 pt-20 -67.87 -43.6 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.029 0.442 . . . . 0.0 109.827 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -60.34 -39.88 88.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.35 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.786 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -67.79 -36.53 80.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.277 0.561 . . . . 0.0 109.548 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.445 HG21 ' OD1' ' B' ' 3' ' ' ASP . 85.0 m -59.87 -44.26 94.25 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.298 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -59.68 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.178 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.74 -40.73 72.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.855 ' CD2' HD11 ' B' ' 38' ' ' ILE . 64.1 mt -64.07 -49.6 71.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.28 -32.17 69.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.003 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.0 mttt -80.77 -25.13 38.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.613 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 44.8 m-85 -145.04 -43.98 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.438 -0.505 . . . . 0.0 112.258 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.658 ' O ' HD13 ' B' ' 34' ' ' ILE . 23.7 t-20 70.48 54.02 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.658 HD13 ' O ' ' B' ' 33' ' ' ASN . 41.6 mm -145.79 124.96 5.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.639 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' B' ' 36' ' ' LYS . 11.9 pt-20 -49.63 -47.46 49.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.593 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.426 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 36.7 ttpt -59.71 -58.63 7.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.987 0.422 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -53.0 -42.8 65.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.855 HD11 ' CD2' ' B' ' 29' ' ' LEU . 96.7 mt -51.71 -46.36 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 111.389 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.616 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -62.35 -41.21 98.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.812 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.721 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -62.94 -45.85 90.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.573 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 64.2 m-70 -66.68 -51.32 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.713 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.786 HD11 ' HA ' ' B' ' 25' ' ' ALA . 50.1 mt -64.79 -43.78 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.882 0.372 . . . . 0.0 111.258 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.47 -57.89 10.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.762 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' B' ' 44' ' ' LYS . 10.5 mtmp? -58.08 -44.27 87.48 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 39.3 tt0 -57.29 -45.28 84.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -72.66 -39.31 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.32 . . . . 0.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -61.15 -40.41 93.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -72.17 -39.6 68.56 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.103 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 94.4 mttt -84.29 -70.19 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 7.7 m-30 -73.96 -21.14 60.13 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.9 t30 96.56 141.82 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.568 0 C-N-CA 122.672 0.389 . . . . 0.0 110.347 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.42 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 50.5 Cg_exo -56.52 171.28 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.411 2.074 . . . . 0.0 112.75 -179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.88 HG22 ' O ' ' B' ' 88' ' ' SER . 9.1 t -118.55 106.08 12.29 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 121.023 0.44 . . . . 0.0 111.38 0.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.791 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.2 m95 -84.56 122.26 28.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.345 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.584 ' O ' HD12 ' B' ' 85' ' ' LEU . 30.5 m-70 -99.06 136.31 39.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.41 -0.813 . . . . 0.0 108.942 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.592 ' HB2' HD13 ' B' ' 85' ' ' LEU . 44.0 t -132.26 150.11 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.248 0.547 . . . . 0.0 112.065 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.576 HG21 ' CE2' ' B' ' 62' ' ' PHE . 36.6 mt -147.92 142.0 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.224 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -149.02 132.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.217 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.97 -134.86 2.42 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.395 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 28.0 ttm180 -173.95 39.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.605 0.241 . . . . 0.0 111.028 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 166.37 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.5 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' B' ' 57' ' ' ILE . 32.4 p90 -173.24 132.14 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -83.63 135.35 13.7 Favored Glycine 0 N--CA 1.452 -0.26 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.1 m -128.32 141.41 51.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.49 0.645 . . . . 0.0 112.621 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.703 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 4.2 t80 -144.1 125.75 15.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.719 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.611 HG12 ' N ' ' B' ' 67' ' ' THR . 22.6 t -157.21 170.07 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.192 -177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.636 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.6 m -116.0 147.38 41.27 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.453 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.9 p80 -161.86 141.0 9.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.408 . . . . 0.0 111.629 -178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.408 ' OE2' ' CE1' ' B' ' 72' ' ' HIS . 12.6 pt-20 -66.44 154.75 39.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.243 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.526 HG23 ' N ' ' D' ' 1' ' ' MET . 77.2 p -57.23 150.57 17.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.9 mmpt? 65.9 34.73 7.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.635 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.408 ' CE1' ' OE2' ' B' ' 69' ' ' GLU . 62.5 m80 -158.71 69.29 0.48 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.532 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.745 ' CE1' HD11 ' B' ' 84' ' ' LEU . 32.5 t80 -169.6 137.21 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.839 ' O ' HD12 ' B' ' 84' ' ' LEU . 10.8 tt -156.42 142.58 10.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 121.212 0.53 . . . . 0.0 111.876 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.516 ' HB3' ' HB2' ' B' ' 10' ' ' ASN . 41.0 t80 -142.16 139.59 32.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.391 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 7.8 p90 -170.03 140.71 2.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.198 0.523 . . . . 0.0 112.166 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.595 ' HB2' HG22 ' B' ' 7' ' ' VAL . 60.5 m-85 -80.59 149.64 29.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.317 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' B' ' 6' ' ' ALA . 53.1 tp -169.96 139.96 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.16 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.86 39.95 70.22 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.376 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 56.7 37.36 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 0.0 110.993 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.557 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.3 m -156.81 135.79 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.011 0.434 . . . . 0.0 110.853 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.447 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -72.74 135.91 45.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.581 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 55.2 mt -125.09 140.01 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.399 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.839 HD12 ' O ' ' B' ' 74' ' ' ILE . 57.3 tp -140.91 145.34 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.897 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' B' ' 54' ' ' TRP . 50.9 tp -158.49 143.17 16.08 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.062 0.458 . . . . 0.0 111.429 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.614 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 12.8 p90 -179.21 134.57 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.846 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.791 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -83.06 170.0 15.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.045 0.45 . . . . 0.0 111.604 -179.244 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.88 ' O ' HG22 ' B' ' 53' ' ' THR . 46.6 t -146.35 135.04 22.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.985 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.522 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.507 ' O ' HG23 ' A' ' 67' ' ' THR . 81.5 mtp . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.675 0.274 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.488 ' CE ' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -72.75 129.36 38.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.506 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.561 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -75.69 109.75 9.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.239 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.669 HG21 ' HE2' ' A' ' 73' ' ' PHE . 12.1 t -73.27 136.29 44.54 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.18 134.29 7.65 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.248 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.8 pt -151.1 170.05 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.955 0.407 . . . . 0.0 111.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.509 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 11.9 pt20 -160.03 69.79 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.809 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.614 HG21 ' OH ' ' A' ' 75' ' ' TYR . 47.3 t -69.43 136.82 25.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.824 0.345 . . . . 0.0 110.982 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.804 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.455 ' CZ ' ' CE2' ' A' ' 77' ' ' TYR . 15.7 ptp180 -92.28 137.37 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' C' ' 13' ' ' ASP . 1.5 m-20 -81.06 46.34 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.597 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.735 HD13 HE21 ' A' ' 80' ' ' GLN . 84.0 mt 68.06 -32.27 0.2 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.724 -0.216 . . . . 0.0 111.097 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' C' ' 11' ' ' ASP . 1.5 m-20 69.13 -57.24 0.53 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.554 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.84 -47.88 3.62 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.838 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -170.8 -47.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.621 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -66.82 137.59 56.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.626 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -70.75 54.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.523 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.393 179.812 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.526 ' N ' HG23 ' B' ' 70' ' ' THR . 22.3 ptp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.878 0.371 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -153.81 137.18 15.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.636 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.2 p-10 -69.96 126.94 31.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.967 -179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.516 HG21 ' CE2' ' B' ' 86' ' ' PHE . 12.8 t -75.41 144.42 42.21 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.526 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -146.21 123.86 1.92 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.366 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.832 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.7 pp -160.37 145.15 5.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.31 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' D' ' 7' ' ' GLN . 22.4 pt20 -123.57 100.51 6.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.102 0.477 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 52.1 t -78.41 137.57 21.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.736 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -173.79 46.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.011 0.434 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.42 ' NE ' ' HA ' ' D' ' 10' ' ' ARG . 4.3 mmp_? -57.93 131.97 52.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -84.48 45.22 1.11 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.99 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -91.61 39.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -70.49 130.8 42.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.12 -50.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.821 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -69.02 -60.15 2.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 111.124 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 76.4 p 176.45 135.21 0.06 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 37.4 m170 57.78 46.13 17.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.898 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.734 0.302 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.1 m -153.9 131.95 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.726 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -179.21 44.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.57 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.67 ' HD2' HD11 ' A' ' 78' ' ' LEU . 40.2 ttp85 -178.05 124.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.98 ' HG3' HG13 ' A' ' 7' ' ' VAL . 22.3 tptm -78.48 -61.35 2.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.973 0.416 . . . . 0.0 111.026 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 77' ' ' TYR . . . 56.34 52.98 9.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.978 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.98 HG13 ' HG3' ' A' ' 5' ' ' LYS . 8.5 m -85.63 137.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.046 0.451 . . . . 0.0 112.007 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.655 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -80.53 136.96 22.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.454 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -115.72 -32.49 5.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -155.47 52.8 0.6 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.86 0.362 . . . . 0.0 111.463 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.655 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.71 146.52 20.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.935 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -167.61 71.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.956 0.407 . . . . 0.0 111.147 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.436 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 60.2 mtt -157.16 -166.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.3 p -88.31 38.52 0.86 Allowed 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.2 mt-10 65.51 -58.83 0.29 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -58.99 -38.83 80.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.278 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.436 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 60.4 mtt -60.13 -51.46 69.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.3 pt20 -60.56 -39.76 89.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -64.33 -42.09 96.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.979 0.418 . . . . 0.0 110.244 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.407 ' OD1' ' CZ ' ' A' ' 46' ' ' PHE . 7.6 t0 -66.95 -36.33 81.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.575 179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.2 m -67.71 -43.99 78.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.086 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 18' ' ' GLN . 59.0 t -64.74 -46.68 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.372 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.0 -42.29 85.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.049 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.72 -37.95 87.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.865 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -67.11 -37.64 84.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.336 0.588 . . . . 0.0 109.429 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.2 m -60.38 -43.66 96.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.067 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' HG2' ' CD ' ' A' ' 31' ' ' LYS . 51.9 tt0 -58.89 -45.97 88.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.117 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.576 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -54.17 -44.09 71.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.963 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.847 ' CD2' HD11 ' A' ' 38' ' ' ILE . 59.0 mt -60.51 -48.41 81.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.32 -33.51 75.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.312 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 57.3 mtpt -77.38 -31.76 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.42 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.545 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 4.2 m-85 -138.79 -49.75 0.53 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.951 -179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.854 ' C ' HD12 ' A' ' 34' ' ' ILE . 50.2 t30 78.57 45.37 0.06 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.415 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.854 HD12 ' C ' ' A' ' 33' ' ' ASN . 2.4 mp -135.59 130.07 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.122 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -51.18 -46.76 62.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.926 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -65.89 -53.91 33.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.846 0.355 . . . . 0.0 111.499 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.42 ' HB3' ' NE2' ' A' ' 41' ' ' HIS . 59.6 m-20 -54.58 -42.04 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.503 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.847 HD11 ' CD2' ' A' ' 29' ' ' LEU . 89.8 mt -52.46 -42.69 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.056 0.455 . . . . 0.0 110.481 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' ' 56' ' ' CYS . . . -60.4 -38.93 85.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.253 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.12 -47.03 66.19 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.569 ' HD2' ' HB1' ' A' ' 28' ' ' ALA . 26.7 m-70 -60.9 -51.58 68.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.925 0.393 . . . . 0.0 111.506 -179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 ' HA ' ' A' ' 25' ' ' ALA . 63.9 mt -60.88 -43.51 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.824 -179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' B' ' 65' ' ' TYR . 62.3 tttm -57.85 -51.63 68.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.6 -47.63 84.83 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -56.31 -47.85 77.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.73 0.3 . . . . 0.0 111.533 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CZ ' ' OD1' ' A' ' 20' ' ' ASP . 6.0 m-85 -71.42 -40.31 70.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.633 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 53.0 m-20 -57.89 -36.01 71.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.023 0.439 . . . . 0.0 110.579 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.77 -39.6 26.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.488 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -81.32 -61.22 2.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' HB3' ' A' ' 51' ' ' ASN . 5.3 m-85 -85.96 -21.25 27.97 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -178.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.543 ' HB3' ' O ' ' A' ' 50' ' ' TYR . 26.7 t-20 95.18 137.83 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.587 0 C-N-CA 122.75 0.42 . . . . 0.0 110.217 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 47' ' ' ASP . 11.9 Cg_endo -54.95 169.71 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.632 2.221 . . . . 0.0 112.513 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.531 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.9 t -116.12 116.62 28.18 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 122.962 0.505 . . . . 0.0 111.219 0.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.739 ' CG ' ' HB3' ' A' ' 87' ' ' LYS . 22.0 m95 -93.13 129.96 38.93 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.685 ' O ' HD12 ' A' ' 85' ' ' LEU . 38.9 m-70 -98.16 135.93 39.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.235 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.686 ' SG ' HD13 ' A' ' 85' ' ' LEU . 78.7 m -123.98 147.82 47.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.297 0.57 . . . . 0.0 112.304 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.801 HG23 ' OG ' ' B' ' 64' ' ' SER . 57.9 mt -151.27 143.54 16.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.298 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.7 t -156.8 135.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.812 0.339 . . . . 0.0 110.909 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.43 -137.07 2.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.692 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.676 ' HA ' HG11 ' C' ' 8' ' ' VAL . 7.3 ptm180 -179.01 41.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.551 0.215 . . . . 0.0 111.191 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' C' ' 8' ' ' VAL . 9.4 m-20 162.12 82.57 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.064 0.545 . . . . 0.0 109.817 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 14.7 p90 -173.07 137.14 0.69 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.577 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -100.57 139.64 14.5 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.841 ' OG ' HG23 ' B' ' 57' ' ' ILE . 41.7 m -157.31 149.59 22.82 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.927 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 19.4 m-85 -124.61 140.56 52.82 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.14 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.817 HG11 ' CZ ' ' A' ' 86' ' ' PHE . 27.9 t -156.87 162.46 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.41 0 CA-C-O 120.527 0.203 . . . . 0.0 111.381 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.543 ' N ' HG12 ' A' ' 66' ' ' VAL . 85.4 m -115.83 155.89 27.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' ND1' ' HB2' ' A' ' 73' ' ' PHE . 23.7 p80 -166.95 140.35 3.7 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.819 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.557 ' HG2' ' HB3' ' A' ' 88' ' ' SER . 25.0 pt-20 -64.28 150.26 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.626 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.7 p -56.78 150.96 15.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.425 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' A' ' 72' ' ' HIS . 34.6 mmtp 64.26 37.19 8.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.788 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 84.2 m-70 -164.43 54.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.709 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.576 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 34.7 t80 -152.61 141.33 20.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.953 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.802 ' O ' HD12 ' A' ' 84' ' ' LEU . 6.5 tt -165.01 145.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.312 0.577 . . . . 0.0 111.962 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.7 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.6 t80 -148.97 135.07 19.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.24 -0.891 . . . . 0.0 108.815 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.73 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -166.93 135.89 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.452 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 57.1 m-85 -74.54 143.7 44.38 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.552 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.881 HD23 ' N ' ' A' ' 79' ' ' GLY . 6.0 tt -169.25 142.42 2.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.931 0.396 . . . . 0.0 110.989 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.881 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 56.52 41.07 88.31 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.431 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 81' ' ' VAL . 13.7 mp0 55.61 35.43 25.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 78' ' ' LEU . 29.5 m -158.33 135.11 2.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HB3' HG21 ' C' ' 8' ' ' VAL . . . -69.78 135.57 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.268 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' A' ' 78' ' ' LEU . 58.4 mt -121.02 137.89 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.802 HD12 ' O ' ' A' ' 74' ' ' ILE . 50.9 tp -139.95 140.7 36.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.754 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.686 HD13 ' SG ' ' A' ' 56' ' ' CYS . 58.2 tp -154.22 145.48 22.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.817 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 11.7 p90 178.75 132.62 0.08 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.547 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.739 ' HB3' ' CG ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -102.28 170.35 8.13 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.557 ' HB3' ' HG2' ' A' ' 69' ' ' GLU . 35.7 t 54.61 45.69 26.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.07 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.567 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.488 1.459 0 CA-C-O 120.813 0.34 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 54.1 t -60.41 133.24 55.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.86 132.0 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.815 ' HD2' HG11 ' B' ' 22' ' ' VAL . 1.5 tmm_? 57.93 54.66 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.371 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -66.06 -132.15 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.055 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.779 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 61.03 132.24 0.01 OUTLIER 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.789 0.328 . . . . 0.0 111.57 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.448 HG22 ' HB2' ' B' ' 77' ' ' TYR . 29.3 m -99.94 138.88 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 120.959 0.409 . . . . 0.0 111.736 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.641 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.2 155.27 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.838 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.426 ' N ' HG22 ' B' ' 8' ' ' ILE . 31.8 mmmt -142.28 -39.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -147.12 49.79 1.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.015 0.436 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.577 ' HB1' ' OE1' ' B' ' 18' ' ' GLN . . . -58.65 145.8 38.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.405 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 63.7 t0 -161.05 56.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 110.459 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.57 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 61.7 mtt -160.51 157.24 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.74 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 51.2 m -56.13 148.81 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.334 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.79 -41.37 4.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.818 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.88 -39.41 93.5 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.835 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.57 ' HB2' ' HB3' ' B' ' 13' ' ' MET . 67.4 mtt -67.44 -47.73 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.819 ' O ' HG23 ' B' ' 22' ' ' VAL . 42.4 mt-30 -64.93 -42.73 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.174 0.511 . . . . 0.0 110.137 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.59 -41.34 84.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.432 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 38.2 t70 -68.93 -36.53 78.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.414 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -68.03 -44.32 76.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.998 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.819 HG23 ' O ' ' B' ' 18' ' ' GLN . 60.5 t -64.65 -45.96 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.493 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -66.6 -43.3 85.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.1 t -64.44 -37.41 87.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.044 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.89 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -68.62 -40.1 80.5 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.317 0.58 . . . . 0.0 109.528 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -60.47 -42.97 97.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.212 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.457 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 40.0 tt0 -59.46 -44.95 92.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.354 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.459 ' HB1' ' HD2' ' B' ' 41' ' ' HIS . . . -56.51 -42.37 78.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.805 HD23 HD11 ' B' ' 38' ' ' ILE . 54.1 mt -61.27 -48.83 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.497 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -67.36 -32.09 72.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.598 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.5 mtpm? -81.64 -26.11 35.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.844 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.535 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 54.3 m-85 -145.32 -45.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.283 -0.567 . . . . 0.0 112.384 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.445 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.5 t30 69.16 51.54 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.88 0.371 . . . . 0.0 110.961 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.536 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.5 mt -136.96 129.64 44.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 120.971 0.415 . . . . 0.0 110.712 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -51.79 -52.03 51.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.172 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.36 -56.01 19.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.998 0.428 . . . . 0.0 111.755 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.459 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.4 m-20 -53.6 -45.83 70.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.15 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.805 HD11 HD23 ' B' ' 29' ' ' LEU . 93.7 mt -49.58 -44.46 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 120.79 0.328 . . . . 0.0 111.419 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.29 81.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.484 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.927 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -64.37 -47.15 80.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.835 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.535 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 19.6 m-70 -62.81 -50.29 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.412 . . . . 0.0 111.356 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.89 HD11 ' HA ' ' B' ' 25' ' ' ALA . 56.8 mt -68.22 -40.03 82.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.755 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.454 ' CD ' ' HB3' ' A' ' 65' ' ' TYR . 60.2 tttm -60.32 -58.48 8.31 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -68.72 -39.24 80.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.827 -178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -53.02 -53.64 47.17 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.485 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.5 m-85 -71.37 -44.03 65.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.9 t0 -54.56 -37.34 65.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.441 ' O ' ' HD2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -76.66 -49.65 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.788 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.405 ' HD3' ' NZ ' ' B' ' 48' ' ' LYS . 75.7 mmtt -74.39 -70.24 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.264 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.551 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.7 m-30 -68.14 -17.33 64.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.023 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 3.8 m120 94.24 146.4 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.441 0 C-N-CA 122.837 0.455 . . . . 0.0 110.417 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.42 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 29.0 Cg_endo -62.9 167.75 11.59 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.445 2.097 . . . . 0.0 112.52 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.553 HG22 ' O ' ' B' ' 88' ' ' SER . 9.8 t -112.86 133.21 54.95 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 122.776 0.43 . . . . 0.0 110.474 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.547 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 33.8 m95 -109.09 135.9 49.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.447 0.642 . . . . 0.0 112.627 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.501 ' HB2' ' CZ ' ' B' ' 86' ' ' PHE . 13.7 m-70 -115.43 137.37 52.12 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.604 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 41.8 t -136.81 154.34 50.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.46 0.648 . . . . 0.0 112.58 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.841 HG23 ' OG ' ' A' ' 64' ' ' SER . 54.3 mt -148.98 142.51 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.809 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -151.26 132.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.967 0.413 . . . . 0.0 111.162 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.42 -131.48 2.14 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.284 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 38.6 ptt85 -177.02 37.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 14.1 t-20 177.39 76.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.559 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 10.1 p90 -162.89 138.5 6.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.524 0.678 . . . . 0.0 112.398 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -115.36 137.0 13.52 Favored Glycine 0 N--CA 1.45 -0.396 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 178.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.801 ' OG ' HG23 ' A' ' 57' ' ' ILE . 61.2 m -154.27 148.8 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.48 ' CE1' ' HD3' ' A' ' 43' ' ' LYS . 2.7 t80 -120.17 132.64 55.46 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.242 -1.345 . . . . 0.0 107.782 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' B' ' 86' ' ' PHE . 20.1 t -154.35 167.19 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -177.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.596 ' N ' HG12 ' B' ' 66' ' ' VAL . 91.1 m -124.04 143.79 50.23 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' D' ' 1' ' ' MET . 31.0 p80 -159.39 146.43 16.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.105 0.479 . . . . 0.0 112.122 -177.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 16.7 tp10 -58.29 151.97 18.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.193 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.573 HG23 ' N ' ' D' ' 1' ' ' MET . 44.7 p -53.12 146.25 11.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.179 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' B' ' 71' ' ' LYS . 11.8 mptt 61.03 17.58 8.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.111 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.464 ' CE1' ' HE3' ' B' ' 87' ' ' LYS . 33.7 m170 -122.13 68.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 9.3 t80 179.41 146.43 0.2 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.935 0.397 . . . . 0.0 111.429 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.486 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 10.9 tt -162.48 133.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' D' ' 8' ' ' VAL . 37.2 t80 -130.02 132.22 46.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.575 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.616 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.1 p90 -166.57 134.67 2.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 111.872 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.448 ' HB2' HG22 ' B' ' 7' ' ' VAL . 60.9 m-85 -73.1 147.25 45.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.872 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' B' ' 6' ' ' ALA . 52.0 tp -170.44 140.4 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.32 41.74 80.63 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.577 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 54.78 36.54 26.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.485 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.8 m -157.37 133.51 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.788 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.62 125.62 27.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.508 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' B' ' 78' ' ' LEU . 54.2 mt -105.71 143.8 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.503 179.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 65.6 tp -143.63 143.27 31.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.912 0.387 . . . . 0.0 111.19 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.449 HD22 ' CG2' ' B' ' 42' ' ' ILE . 56.1 tp -157.11 141.47 16.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.296 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.601 ' CE2' HG11 ' B' ' 66' ' ' VAL . 8.7 p90 -173.63 129.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 56.1 pttt -100.87 170.46 8.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.099 0.476 . . . . 0.0 111.416 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.553 ' O ' HG22 ' B' ' 53' ' ' THR . 57.6 m -145.33 140.51 27.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.961 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.524 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 56.6 ttp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.692 0.282 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -159.64 150.51 19.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.58 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 47.5 p-10 -74.15 124.03 25.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.562 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 66' ' ' VAL . 11.9 t -76.46 132.8 39.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.445 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.618 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -124.87 124.0 5.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.612 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.799 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.1 pp -161.94 155.36 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.577 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 27.3 pt20 -146.54 117.71 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.359 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 60' ' ' ARG . 40.2 t -81.31 138.65 19.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.895 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.797 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -70.93 129.03 37.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.727 0.299 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.94 56.36 3.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.753 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 80' ' ' GLN . 49.8 tp -60.82 -24.98 66.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.025 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.66 132.73 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.84 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.34 -56.57 21.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.467 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -77.66 131.53 37.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.655 0.264 . . . . 0.0 110.655 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m 56.95 48.99 14.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.889 0.376 . . . . 0.0 110.639 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -53.14 136.2 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.408 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.877 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.573 ' N ' HG23 ' B' ' 70' ' ' THR . 50.1 ttm . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.622 0.249 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' D' ' 2' ' ' LYS . 8.3 mtpm? -152.04 134.6 15.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.16 0.505 . . . . 0.0 111.305 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.448 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 38.3 p30 -75.66 120.14 20.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.867 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.583 HG21 ' HE2' ' B' ' 73' ' ' PHE . 15.4 t -89.24 149.58 23.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.343 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.632 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -153.22 129.05 2.6 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.935 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.855 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.3 pp -160.49 143.84 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.164 0.507 . . . . 0.0 112.313 -179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.481 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.2 pt20 -119.96 84.87 2.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.553 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' B' ' 75' ' ' TYR . 47.2 t -69.41 143.55 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 34.9 t70 -163.48 130.93 3.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.801 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.502 ' HD2' HD13 ' D' ' 12' ' ' LEU . 13.1 tpt180 -64.58 134.54 54.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -177.61 42.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.324 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.587 HD12 ' N ' ' D' ' 12' ' ' LEU . 5.0 mp -90.16 41.07 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.976 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -71.72 138.84 48.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.11 -35.68 65.45 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.225 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -158.1 136.55 11.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.574 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.1 t 63.9 133.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -60.57 137.44 58.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.911 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 120.817 0.341 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.52 133.49 56.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -62.42 138.46 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.497 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -75.85 51.37 0.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.189 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' ALA . 17.0 tppt? -73.33 -76.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.724 0.297 . . . . 0.0 111.282 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 59.06 125.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.9 m -82.23 136.86 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.143 0.497 . . . . 0.0 111.938 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.737 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -90.19 144.09 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.683 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -136.39 -43.08 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.57 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 4.1 m120 -123.44 46.29 2.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.77 0.319 . . . . 0.0 111.568 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.737 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -61.08 141.44 57.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.745 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -169.64 54.14 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.757 0.313 . . . . 0.0 111.606 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.432 ' HE3' ' N ' ' A' ' 73' ' ' PHE . 13.5 ptp -171.42 -175.53 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.948 0.404 . . . . 0.0 111.223 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.7 m -55.27 151.21 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.403 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 8.7 mp0 -65.0 -43.98 90.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.314 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.57 -42.4 98.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.6 mtt -58.94 -51.15 71.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 111.182 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.759 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.1 pt20 -60.64 -39.86 89.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.28 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -67.25 -41.22 85.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.862 0.363 . . . . 0.0 110.804 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -64.78 -39.88 94.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.63 -44.55 81.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.87 0.367 . . . . 0.0 110.253 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 18' ' ' GLN . 60.5 t -64.6 -44.43 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.8 -46.43 78.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.529 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -65.91 -31.25 72.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.072 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.819 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.48 -39.88 73.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.176 0.513 . . . . 0.0 109.781 179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.544 ' OG1' HD21 ' A' ' 78' ' ' LEU . 89.4 m -59.75 -49.58 77.19 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.378 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 71.8 mt-30 -57.93 -47.06 84.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.833 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -45.69 -43.42 12.68 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.745 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.798 HD23 HD11 ' A' ' 38' ' ' ILE . 53.4 mt -62.4 -46.9 86.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.119 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -68.46 -29.56 68.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.025 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 60.5 mmtt -80.37 -36.71 33.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.579 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 33' ' ' ASN . 45.4 m-85 -134.56 -40.71 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.616 ' O ' HD13 ' A' ' 34' ' ' ILE . 49.5 t30 67.69 46.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.993 0.425 . . . . 0.0 110.345 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 33' ' ' ASN . 47.3 mm -148.09 124.28 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.725 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -48.28 -44.98 34.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.907 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -62.43 -58.24 8.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.647 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -57.65 -47.02 83.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.73 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.833 HG23 ' CB ' ' A' ' 28' ' ' ALA . 66.7 mt -54.57 -52.07 44.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.09 -28.14 69.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.916 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.97 -55.98 10.7 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.528 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -65.06 -48.7 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.431 -178.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.819 HD11 ' HA ' ' A' ' 25' ' ' ALA . 52.3 mt -58.04 -42.45 82.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.654 0.264 . . . . 0.0 111.105 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 0.9 OUTLIER -60.22 -46.29 90.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.686 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 60.8 mttp -68.22 -48.59 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 55.9 mt-10 -56.19 -46.74 79.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.685 0.278 . . . . 0.0 111.634 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CE1' HG23 ' A' ' 42' ' ' ILE . 11.0 m-85 -66.75 -42.85 85.5 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.686 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.0 p30 -66.74 -29.96 70.06 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.712 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -75.55 -43.47 48.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.151 0.501 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.2 mtpt -78.59 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.7 m-85 -85.29 -15.22 44.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.385 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 94.07 139.84 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.551 0 O-C-N 123.46 0.475 . . . . 0.0 110.185 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 38.7 Cg_exo -60.36 166.97 8.53 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.464 2.109 . . . . 0.0 112.737 -179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.8 t -115.48 133.51 55.96 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 122.912 0.485 . . . . 0.0 110.881 0.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 32.0 m95 -102.75 132.33 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 22.5 m-70 -103.34 129.01 50.28 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 48.0 t -131.59 144.56 51.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.316 0.579 . . . . 0.0 112.151 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 62' ' ' PHE . 48.2 mt -150.53 138.84 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.005 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -149.8 136.56 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 111.181 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.73 -133.34 2.17 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.544 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.745 ' HD2' HD12 ' C' ' 12' ' ' LEU . 55.0 ttp180 -175.14 44.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.895 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 161.27 84.08 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.517 -179.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE2' HG21 ' A' ' 57' ' ' ILE . 2.8 p90 -170.03 137.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.59 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -111.66 134.36 12.05 Favored Glycine 0 N--CA 1.453 -0.211 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 177.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.707 ' HB3' HG23 ' B' ' 57' ' ' ILE . 62.9 p -155.6 153.54 30.28 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.706 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 22.5 m-85 -124.25 142.09 51.53 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.63 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HB ' HG22 ' C' ' 4' ' ' THR . 20.3 t -157.63 162.0 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.2 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.519 ' N ' HG12 ' A' ' 66' ' ' VAL . 92.0 m -115.54 153.75 30.62 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 23.8 p80 -167.6 150.09 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.62 139.27 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.999 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.8 p -56.47 148.36 19.49 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.462 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 66.48 36.38 5.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -157.92 56.71 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.036 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.546 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 28.2 t80 -152.95 138.7 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.092 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.682 HD12 ' HB3' ' A' ' 18' ' ' GLN . 9.8 tt -161.73 142.13 3.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 121.219 0.533 . . . . 0.0 112.008 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.738 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.7 t80 -141.95 137.35 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.374 -0.83 . . . . 0.0 108.982 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 22' ' ' VAL . 8.6 p90 -166.54 141.46 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.092 0.473 . . . . 0.0 112.077 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 6.6 m-85 -86.93 152.95 21.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.826 178.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 6' ' ' ALA . 63.9 tp -160.86 138.38 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.024 0.44 . . . . 0.0 111.861 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 67.32 -67.02 0.24 Allowed Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.976 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 39.2 tt0 179.82 36.27 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.121 179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.8 m -159.79 135.9 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.652 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.39 130.24 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.482 HD12 ' HE1' ' A' ' 76' ' ' PHE . 56.3 mt -113.18 141.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.993 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.738 HD13 ' HD2' ' A' ' 75' ' ' TYR . 59.5 tp -138.1 141.32 40.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.866 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.479 ' O ' HG22 ' A' ' 74' ' ' ILE . 57.2 tp -158.46 135.29 9.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.356 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.546 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 2.5 p90 -173.59 127.73 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.583 ' HZ2' ' HB2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -96.38 170.41 9.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.185 0.517 . . . . 0.0 111.799 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -147.32 129.97 16.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.724 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.54 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 26.7 p -61.45 -42.89 99.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 36.8 t70 62.83 132.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.567 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 3.4 tmm_? -178.5 130.29 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.211 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.567 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.4 mmtt -148.46 -139.86 0.1 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.251 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.978 ' HB2' HD22 ' B' ' 78' ' ' LEU . . . 63.85 124.98 0.02 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.725 0.298 . . . . 0.0 111.233 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 28.1 m -90.11 136.36 24.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-O 120.923 0.392 . . . . 0.0 111.363 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.58 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.34 126.11 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.769 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -102.6 -34.59 9.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.0 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.5 ' OD1' ' HB3' ' B' ' 75' ' ' TYR . 19.4 p30 -165.95 55.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.045 0.45 . . . . 0.0 111.109 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.4 ' HB2' HG23 ' B' ' 8' ' ' ILE . . . -61.43 147.79 43.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.63 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -158.27 70.19 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.181 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' B' ' 14' ' ' SER . 53.6 ttm -174.55 161.92 3.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.53 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.422 ' N ' ' HG2' ' B' ' 13' ' ' MET . 57.9 m -45.31 140.14 3.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.835 0.35 . . . . 0.0 111.635 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.459 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.1 mt-10 -49.56 -49.73 45.12 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.074 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -62.89 -41.35 99.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.814 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.41 ' HB2' ' HG2' ' B' ' 13' ' ' MET . 86.8 mtp -64.97 -47.98 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.08 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.832 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.5 pt20 -67.0 -39.43 87.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.342 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -67.83 -38.96 83.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.681 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -68.81 -36.78 78.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.9 t -67.48 -41.98 83.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 0.0 110.038 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.832 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.1 t -64.49 -48.86 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.498 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -66.0 -42.4 89.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.836 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.65 -33.91 73.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.547 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.762 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.78 -39.67 76.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.218 0.533 . . . . 0.0 109.907 179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -59.49 -46.11 89.75 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.082 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.401 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 54.1 tt0 -60.89 -37.89 83.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.679 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.553 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -54.78 -47.79 73.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.853 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.869 ' CD2' HD11 ' B' ' 38' ' ' ILE . 62.8 mt -61.36 -46.54 89.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.63 -32.5 73.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.314 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.401 ' CD ' ' HG2' ' B' ' 27' ' ' GLN . 57.8 mtpt -83.97 -41.57 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.901 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.458 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 4.8 m-85 -119.23 -46.53 2.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.582 ' O ' HD13 ' B' ' 34' ' ' ILE . 22.1 t-20 68.0 46.41 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.009 0.433 . . . . 0.0 110.352 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.582 HD13 ' O ' ' B' ' 33' ' ' ASN . 45.1 mm -150.41 127.02 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.666 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -45.69 -46.17 14.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.973 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.74 -57.56 8.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.961 0.41 . . . . 0.0 111.316 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 57.9 m-20 -53.15 -45.18 68.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.957 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.869 HD11 ' CD2' ' B' ' 29' ' ' LEU . 98.3 mt -48.64 -53.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.09 0.471 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -65.26 -24.49 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.99 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.706 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -68.57 -62.89 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.5 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.76 -46.29 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.482 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' B' ' 25' ' ' ALA . 75.4 mt -59.53 -45.68 93.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 111.224 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.529 ' HB3' ' NZ ' ' B' ' 43' ' ' LYS . 6.5 ttpm? -56.81 -49.6 74.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.059 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.22 -41.38 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.395 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -55.94 -52.72 63.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.112 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -71.01 -42.53 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.949 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' B' ' 52' ' ' PRO . 61.3 t0 -57.02 -40.87 77.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -79.07 -44.75 21.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.224 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.53 -63.21 1.29 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.506 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 2.7 m-85 -79.61 -14.64 58.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.256 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.24 145.42 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.428 0 C-N-CA 122.785 0.434 . . . . 0.0 110.249 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.418 ' HB3' ' OD1' ' B' ' 47' ' ' ASP . 19.5 Cg_endo -62.44 169.84 7.59 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.192 1.928 . . . . 0.0 112.539 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.718 HG22 ' O ' ' B' ' 88' ' ' SER . 11.5 t -117.89 113.02 21.12 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.94 0.496 . . . . 0.0 110.983 0.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.69 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.2 m95 -89.85 125.59 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.354 0.597 . . . . 0.0 112.244 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.415 ' ND1' HG13 ' A' ' 66' ' ' VAL . 45.8 m-70 -101.23 132.12 46.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.828 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.427 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 42.7 t -128.02 150.04 50.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 112.068 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.707 HG23 ' HB3' ' A' ' 64' ' ' SER . 37.9 mt -147.25 142.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.056 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 51.3 t -156.03 136.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.47 -136.62 2.51 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 15.6 ptp180 -170.34 32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.598 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 162.86 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 22.5 p90 -169.86 139.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.67 136.93 13.43 Favored Glycine 0 C--N 1.329 0.156 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 41.2 t -140.68 146.52 37.94 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' D' ' 4' ' ' THR . 12.0 m-85 -138.69 135.5 34.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.665 178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.635 HG11 ' CE1' ' B' ' 86' ' ' PHE . 38.9 t -157.53 169.3 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.616 ' N ' HG12 ' B' ' 66' ' ' VAL . 91.8 m -121.11 144.88 48.33 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -160.96 143.52 12.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.006 0.432 . . . . 0.0 111.886 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -65.25 152.67 43.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.938 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.743 HG23 ' N ' ' D' ' 1' ' ' MET . 38.8 p -58.7 151.97 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.184 0.516 . . . . 0.0 111.795 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.479 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 44.2 mmtm 63.6 38.53 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.147 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.8 m-70 -164.74 69.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.962 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.709 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.4 t80 -173.58 140.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.743 ' O ' HD12 ' B' ' 84' ' ' LEU . 8.9 tt -160.4 143.91 4.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-O 121.159 0.504 . . . . 0.0 111.921 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.633 ' OH ' HG22 ' D' ' 8' ' ' VAL . 44.5 t80 -141.66 140.39 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.394 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.635 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.2 p90 -165.75 141.02 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.06 0.457 . . . . 0.0 111.651 -178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -87.07 143.77 27.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.978 HD22 ' HB2' ' B' ' 6' ' ' ALA . 53.0 tp -169.82 145.23 2.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 111.493 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.53 40.99 88.34 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.414 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 53.86 35.72 22.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.718 0.294 . . . . 0.0 110.654 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.4 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.8 m -157.99 132.25 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.109 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.511 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.86 143.42 52.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.328 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.412 HD12 ' HE1' ' B' ' 76' ' ' PHE . 58.1 mt -131.03 134.53 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.606 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.743 HD12 ' O ' ' B' ' 74' ' ' ILE . 54.1 tp -136.78 146.83 46.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' B' ' 54' ' ' TRP . 57.8 tp -161.35 142.96 11.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.709 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 11.5 p90 -179.02 132.88 0.12 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.359 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.69 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -86.11 153.14 22.3 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 111.815 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.718 ' O ' HG22 ' B' ' 53' ' ' THR . 45.7 t -126.02 123.17 37.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.783 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.448 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.819 0.342 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 34.4 mmtp -70.89 132.91 45.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.814 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.517 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 9.7 t70 -85.99 109.48 18.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.158 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.581 HG22 ' HB ' ' A' ' 66' ' ' VAL . 15.0 t -77.6 144.58 37.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.715 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.648 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -148.6 125.99 2.18 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.749 -0.739 . . . . 0.0 111.613 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.83 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.3 pp -162.24 151.69 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 112.143 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.59 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 17.6 pt20 -138.38 118.55 13.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.683 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 62' ' ' PHE . 43.4 t -93.29 138.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.795 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.7 ' CZ ' HD11 ' C' ' 12' ' ' LEU . 76.7 mtp180 -62.01 130.38 45.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.837 0.351 . . . . 0.0 111.082 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -87.67 45.98 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.232 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.745 HD12 ' HD2' ' A' ' 60' ' ' ARG . 82.1 mt -77.52 55.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.89 0.376 . . . . 0.0 111.052 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -168.86 138.01 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.756 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.59 136.72 46.76 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.685 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 63.3 135.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.946 0.403 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.5 t -59.55 136.89 58.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -176.5 -46.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.955 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.743 ' N ' HG23 ' B' ' 70' ' ' THR . 83.4 mtp . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.804 0.335 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -173.17 139.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.598 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 -74.74 121.75 22.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.559 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.464 ' N ' ' O ' ' B' ' 66' ' ' VAL . 9.1 t -74.53 148.33 41.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.246 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.55 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -148.94 127.03 2.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.919 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.932 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -158.77 138.28 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.15 0.5 . . . . 0.0 111.705 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.441 ' HG2' ' OD1' ' D' ' 9' ' ' ASP . 51.9 tt0 -112.47 89.67 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.333 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.633 HG22 ' OH ' ' B' ' 75' ' ' TYR . 47.1 t -69.57 138.44 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.448 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.441 ' OD1' ' HG2' ' D' ' 7' ' ' GLN . 2.3 m-20 -154.89 125.13 6.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.42 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.419 ' HD2' ' HD3' ' B' ' 60' ' ' ARG . 61.5 ttt-85 -77.69 134.34 38.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.702 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -177.54 45.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.576 HD12 ' N ' ' D' ' 12' ' ' LEU . 5.2 mp -75.26 53.53 0.65 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.307 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -177.67 134.07 0.17 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.86 -46.89 93.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.397 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -178.46 131.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.71 0.291 . . . . 0.0 110.78 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -179.62 -42.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.736 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . 0.452 ' CE1' ' HG3' ' D' ' 18' ' ' LYS . 16.5 p80 -177.8 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . 0.452 ' HG3' ' CE1' ' D' ' 17' ' ' HIS . 59.7 mttp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.779 0.323 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -178.35 -44.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -60.8 135.92 57.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' HE ' HG21 ' A' ' 26' ' ' THR . 10.1 mpt_? -64.49 143.81 57.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.702 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' HD3' ' H ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -90.24 31.76 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.091 0.472 . . . . 0.0 111.332 179.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.952 ' HB2' HD12 ' A' ' 78' ' ' LEU . . . -70.02 66.5 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.714 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 35.4 m -75.38 135.91 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.127 0.489 . . . . 0.0 112.11 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.7 mp -79.32 151.63 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.399 -0.818 . . . . 0.0 111.391 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HE2' HG23 ' A' ' 7' ' ' VAL . 75.3 mmtt -136.53 -41.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.342 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -138.68 48.19 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.749 0.309 . . . . 0.0 111.438 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . . . -65.45 138.76 58.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -158.76 59.07 0.43 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.415 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.402 ' HE1' ' HB3' ' A' ' 17' ' ' MET . 22.8 ptm -167.32 -172.63 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.276 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 16' ' ' GLU . 33.2 t -60.93 135.35 57.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -54.84 -45.71 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.772 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 14' ' ' SER . 12.5 pt-20 -58.51 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.132 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.402 ' HB3' ' HE1' ' A' ' 13' ' ' MET . 66.6 mtt -60.11 -45.18 93.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.759 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 63.7 mt-30 -58.06 -42.54 85.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.822 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -59.55 -45.37 92.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.66 -39.87 85.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.665 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.7 m -65.16 -42.87 93.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.991 0.425 . . . . 0.0 110.234 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.655 HG13 ' CB ' ' A' ' 6' ' ' ALA . 64.8 t -63.45 -46.59 94.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.538 179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.72 -46.82 77.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.321 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.2 m -65.29 -31.61 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.229 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.903 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -71.53 -41.28 69.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.209 0.528 . . . . 0.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.514 HG21 ' HE ' ' A' ' 4' ' ' ARG . 87.7 m -62.03 -47.13 86.1 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.302 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 74.0 mt-30 -60.93 -36.59 79.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.859 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.654 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -57.92 -46.63 84.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.335 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.647 ' CD2' HD11 ' A' ' 38' ' ' ILE . 65.7 mt -63.69 -46.46 85.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.901 0.382 . . . . 0.0 111.551 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 16.0 pt-20 -71.65 -30.81 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -84.31 -33.1 24.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.855 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -124.8 -44.93 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.907 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 65.35 45.03 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.995 0.426 . . . . 0.0 110.565 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.593 ' O ' HG13 ' A' ' 38' ' ' ILE . 58.1 mt -149.46 122.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.319 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.917 ' OE1' HG12 ' A' ' 58' ' ' VAL . 43.0 mm-40 -43.35 -49.53 6.92 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.875 -179.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 36.4 ttpt -61.62 -56.91 14.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.876 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.465 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -50.53 -42.03 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.352 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.647 HD11 ' CD2' ' A' ' 29' ' ' LEU . 58.2 mt -48.5 -53.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.024 0.44 . . . . 0.0 111.37 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -66.0 -23.77 66.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.245 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -69.14 -60.38 2.39 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.654 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -67.46 -44.58 78.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.405 -178.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.903 HD11 ' HA ' ' A' ' 25' ' ' ALA . 69.4 mt -61.03 -43.9 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -63.64 -43.61 96.29 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.165 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 43' ' ' LYS . 5.9 ptpp? -64.38 -44.28 91.82 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.676 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 41' ' ' HIS . 5.2 mm-40 -56.85 -49.42 75.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.508 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.1 m-85 -69.51 -46.41 66.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.063 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -54.9 -40.9 70.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.235 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -84.21 -42.11 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.607 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -73.61 -60.16 2.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.359 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.3 m-85 -85.66 -14.41 45.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.016 -178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.03 145.66 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.437 0 C-N-CA 122.821 0.449 . . . . 0.0 110.0 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -60.01 168.87 5.36 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.124 1.882 . . . . 0.0 112.425 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 88' ' ' SER . 12.9 t -117.88 115.58 25.23 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.904 0.481 . . . . 0.0 110.85 0.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.2 m95 -94.24 129.48 40.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.284 0.564 . . . . 0.0 112.407 -179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 31.4 m-70 -107.28 141.29 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.309 -0.86 . . . . 0.0 108.739 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.752 ' O ' HD13 ' A' ' 57' ' ' ILE . 53.0 t -144.06 144.52 31.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.559 0.695 . . . . 0.0 112.764 -178.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 56' ' ' CYS . 28.9 mm -144.22 148.03 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.358 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.917 HG12 ' OE1' ' A' ' 35' ' ' GLU . 49.1 t -155.26 137.05 5.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.827 0.346 . . . . 0.0 111.376 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.28 -135.02 2.43 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.254 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.635 HH21 HD23 ' C' ' 12' ' ' LEU . 15.3 ptm180 -177.88 38.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.678 0.275 . . . . 0.0 111.148 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 171.09 65.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.551 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 57' ' ' ILE . 8.9 p90 -163.63 133.07 4.04 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.039 0.447 . . . . 0.0 112.027 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -81.11 138.31 19.05 Favored Glycine 0 CA--C 1.517 0.185 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.2 t -126.29 147.37 49.72 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 117.651 0.726 . . . . 0.0 112.714 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.5 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 23.7 t80 -149.94 128.25 12.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.646 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.678 HG11 ' CE2' ' A' ' 86' ' ' PHE . 24.8 t -156.81 169.68 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.696 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 87.3 m -124.55 143.79 50.49 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.1 p80 -163.99 150.86 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.795 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HA ' ' H2 ' ' C' ' 1' ' ' MET . 16.5 pt-20 -60.75 144.68 51.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.192 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.567 HG23 ' H3 ' ' C' ' 1' ' ' MET . 69.1 p -56.49 148.58 19.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.4 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 65.06 36.78 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.684 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.436 ' CG ' ' HG3' ' A' ' 69' ' ' GLU . 62.6 m80 -154.03 54.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.827 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.919 ' CE1' HD11 ' A' ' 84' ' ' LEU . 73.0 t80 -159.25 143.53 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 85' ' ' LEU . 7.1 tt -153.62 138.6 10.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.33 0.586 . . . . 0.0 111.597 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.596 ' OH ' HG22 ' C' ' 8' ' ' VAL . 4.8 t80 -144.93 134.39 23.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.22 -0.9 . . . . 0.0 108.823 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.9 p90 -164.27 140.03 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.364 -0.534 . . . . 0.0 112.368 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.577 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 16.5 m-30 -73.18 143.37 47.24 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.856 178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.952 HD12 ' HB2' ' A' ' 6' ' ' ALA . 5.7 tt -168.6 138.71 2.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.785 0.326 . . . . 0.0 110.818 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.876 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 55.49 39.84 75.44 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.565 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' O ' HG13 ' A' ' 81' ' ' VAL . 3.8 mm100 56.35 36.48 27.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.809 0.337 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 78' ' ' LEU . 26.8 m -159.05 134.25 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.786 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.538 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -72.65 130.53 40.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.212 -179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.666 HD13 ' HB1' ' A' ' 25' ' ' ALA . 57.0 mt -112.5 139.69 36.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.666 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.919 HD11 ' CE1' ' A' ' 73' ' ' PHE . 57.8 tp -132.59 138.27 47.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.665 HD23 ' OG ' ' A' ' 21' ' ' SER . 57.1 tp -158.29 139.81 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.435 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.678 ' CE2' HG11 ' A' ' 66' ' ' VAL . 3.7 p90 -173.98 132.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.285 -179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -92.6 140.8 29.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.736 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 53' ' ' THR . 48.5 t -116.25 133.04 56.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.147 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.521 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 83.9 mtp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.788 0.328 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -62.21 131.82 50.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 p30 179.91 135.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.901 ' HD2' HG11 ' B' ' 22' ' ' VAL . 1.6 tmm_? -177.84 54.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.052 0.453 . . . . 0.0 110.172 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -64.17 -139.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.337 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.74 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 63.89 128.47 0.01 OUTLIER 'General case' 0 C--O 1.231 0.085 0 CA-C-O 120.665 0.269 . . . . 0.0 111.384 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.0 m -87.07 135.77 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-O 120.981 0.419 . . . . 0.0 111.531 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.849 HG12 ' HB2' ' B' ' 11' ' ' ALA . 6.2 tp -95.12 142.45 13.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.944 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -131.81 -41.32 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.532 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 74.0 m-20 -115.62 49.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.996 0.427 . . . . 0.0 111.073 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.849 ' HB2' HG12 ' B' ' 8' ' ' ILE . . . -56.9 137.76 54.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.474 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 63.7 t0 -174.37 52.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.543 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.47 ' HB3' ' HB2' ' B' ' 17' ' ' MET . 55.2 mtt -158.62 143.57 16.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -46.15 145.17 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.454 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 56.2 mt-10 -43.34 -39.65 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.74 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.486 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -67.69 -43.44 80.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.678 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.47 ' HB2' ' HB3' ' B' ' 13' ' ' MET . 67.0 mtt -64.51 -47.31 79.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.716 0.293 . . . . 0.0 111.229 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.768 ' O ' HG23 ' B' ' 22' ' ' VAL . 17.7 pt20 -65.27 -37.23 86.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.724 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.0 pt20 -71.66 -37.96 70.72 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.419 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -66.47 -40.2 89.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.012 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 53.6 m -66.93 -43.1 84.11 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.473 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.901 HG11 ' HD2' ' B' ' 4' ' ' ARG . 60.4 t -66.32 -44.53 90.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.621 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' B' ' 19' ' ' GLN . 5.2 mm-40 -68.01 -43.52 78.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.72 -33.46 73.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.934 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -72.57 -39.15 67.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.147 0.498 . . . . 0.0 109.986 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -65.19 -45.93 82.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.446 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 87.8 mt-30 -62.49 -39.31 93.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.278 179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.607 ' HB3' HG23 ' B' ' 38' ' ' ILE . . . -59.12 -44.04 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.358 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.19 -45.06 90.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.562 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.446 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 12.1 pt-20 -70.43 -32.61 70.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -83.6 -34.64 25.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.8 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.463 ' CG ' ' OD2' ' B' ' 37' ' ' ASP . 32.3 m-85 -124.06 -44.78 2.03 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' B' ' 32' ' ' TYR . 49.6 t30 68.23 51.77 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.872 0.368 . . . . 0.0 111.123 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' B' ' 37' ' ' ASP . 57.3 mt -145.71 134.99 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.607 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.422 ' OE2' ' HB ' ' B' ' 81' ' ' VAL . 3.7 mm-40 -61.7 -48.66 79.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.512 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.431 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 2.0 tmmm? -69.73 -49.76 50.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.219 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.463 ' OD2' ' CG ' ' B' ' 32' ' ' TYR . 35.4 t70 -61.71 -44.39 97.01 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.607 HG23 ' HB3' ' B' ' 28' ' ' ALA . 0.2 OUTLIER -55.47 -51.16 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.994 0.426 . . . . 0.0 110.667 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.15 -24.01 67.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.5 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -67.58 -55.58 12.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.821 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.248 -179.108 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.934 HD11 ' HA ' ' B' ' 25' ' ' ALA . 70.7 mt -60.18 -42.94 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.907 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.442 ' O ' ' HD2' ' B' ' 43' ' ' LYS . 0.1 OUTLIER -62.5 -52.51 63.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.631 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.528 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.5 pttp -61.36 -43.37 98.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' B' ' 48' ' ' LYS . 65.9 mm-40 -59.98 -44.69 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.613 0.244 . . . . 0.0 111.632 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.589 ' CD2' HD21 ' B' ' 85' ' ' LEU . 15.2 m-85 -64.83 -38.93 92.65 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.652 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD1' ' B' ' 54' ' ' TRP . 19.4 m-20 -64.44 -38.38 90.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.762 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.629 ' HD3' ' N ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -80.54 -27.79 37.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.042 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.629 ' N ' ' HD3' ' B' ' 48' ' ' LYS . 27.8 tptp -90.31 -63.24 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.516 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 4.2 m-85 -86.24 -15.11 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 66.4 m-20 95.36 141.59 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.521 0 C-N-CA 122.963 0.505 . . . . 0.0 110.491 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.417 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 28.9 Cg_endo -62.92 167.8 11.55 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.776 2.317 . . . . 0.0 113.283 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.3 t -114.71 127.27 55.66 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 122.436 0.294 . . . . 0.0 111.139 0.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.8 m95 -100.66 130.95 46.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.234 0.54 . . . . 0.0 111.824 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.49 ' CE1' HG23 ' B' ' 53' ' ' THR . 15.6 m-70 -110.27 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.037 179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.442 ' HB2' HD13 ' B' ' 85' ' ' LEU . 42.3 t -135.1 148.81 49.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.357 0.599 . . . . 0.0 112.216 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.558 HG21 ' CE2' ' B' ' 62' ' ' PHE . 54.4 mt -149.92 143.77 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.713 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.413 HG12 ' CD ' ' B' ' 35' ' ' GLU . 47.6 t -150.86 140.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 111.363 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.98 -131.98 1.8 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.506 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 16.0 ptp180 -172.59 32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 32.5 t30 168.33 81.71 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.723 0.297 . . . . 0.0 110.518 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.558 ' CE2' HG21 ' B' ' 57' ' ' ILE . 4.1 p90 -168.95 133.82 1.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.075 0.464 . . . . 0.0 111.77 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.65 133.58 12.59 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.9 t -128.18 143.45 51.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 43' ' ' LYS . 1.7 t80 -152.36 121.13 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.423 178.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' D' ' 4' ' ' THR . 24.0 t -155.73 163.56 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.411 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.599 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.2 m -103.91 158.92 16.08 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.468 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.0 p80 -163.52 144.77 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.254 0.55 . . . . 0.0 112.083 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.76 160.41 17.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.377 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.7 p -55.92 142.35 35.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.933 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.623 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 61.28 15.84 6.8 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.477 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.52 ' ND1' ' HG3' ' B' ' 87' ' ' LYS . 57.6 m170 -124.66 69.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.402 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.638 ' CZ ' HG23 ' D' ' 4' ' ' THR . 2.3 t80 -160.9 132.41 5.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.624 HG22 ' O ' ' B' ' 85' ' ' LEU . 11.6 tt -155.55 142.9 11.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.06 0.457 . . . . 0.0 111.406 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.542 ' HD2' HD13 ' B' ' 84' ' ' LEU . 5.8 t80 -157.34 134.34 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.141 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.64 ' CE2' HG22 ' B' ' 22' ' ' VAL . 6.8 p90 -166.79 142.63 4.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.183 0.516 . . . . 0.0 111.819 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.712 ' HE1' ' HB2' ' B' ' 82' ' ' ALA . 68.9 m-85 -83.91 150.81 25.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.162 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' B' ' 6' ' ' ALA . 37.2 tp -155.8 131.57 9.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 111.781 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.77 -65.27 0.12 Allowed Glycine 0 C--N 1.333 0.413 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.09 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.456 ' HA ' HD21 ' D' ' 12' ' ' LEU . 25.8 pt20 178.89 39.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.422 ' HB ' ' OE2' ' B' ' 35' ' ' GLU . 34.2 m -156.82 137.78 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.344 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.712 ' HB2' ' HE1' ' B' ' 77' ' ' TYR . . . -77.92 130.21 36.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.255 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.502 HD12 ' HE1' ' B' ' 76' ' ' PHE . 62.0 mt -113.08 141.43 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.646 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.562 HD21 ' HE2' ' B' ' 86' ' ' PHE . 60.9 tp -141.58 142.01 33.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.624 ' O ' HG22 ' B' ' 74' ' ' ILE . 60.9 tp -160.2 142.33 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.51 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.562 ' HE2' HD21 ' B' ' 84' ' ' LEU . 9.4 p90 -179.11 135.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.032 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.6 ptmt -98.27 170.41 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.671 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 41.4 t -146.96 132.81 19.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.603 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.415 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.567 ' H3 ' HG23 ' A' ' 70' ' ' THR . 27.8 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.937 0.399 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -154.91 133.87 12.26 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 121.271 0.557 . . . . 0.0 111.4 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.696 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 10.1 p-10 -79.83 128.91 34.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.863 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.493 HG22 ' HB ' ' A' ' 66' ' ' VAL . 10.5 t -78.31 136.4 37.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.071 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.453 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -133.04 120.2 2.56 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.332 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.791 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.5 pp -160.32 141.97 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.974 0.416 . . . . 0.0 111.193 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.469 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.8 pt20 -115.3 113.3 23.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.596 HG22 ' OH ' ' A' ' 75' ' ' TYR . 37.0 t -89.29 44.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.987 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.79 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.27 -0.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.665 ' CB ' HD13 ' C' ' 12' ' ' LEU . 45.7 mtp85 -64.17 139.42 58.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 0.0 110.618 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.87 46.41 0.68 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.665 HD13 ' CB ' ' C' ' 10' ' ' ARG . 7.2 mp -82.78 54.19 2.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 111.067 179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -55.22 132.66 48.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.49 -136.01 49.77 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.354 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.92 -49.4 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.673 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' C' ' 17' ' ' HIS . 77.9 p 178.27 135.37 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.774 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' C' ' 16' ' ' SER . 91.3 m-70 -159.72 -52.25 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.385 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.884 0.373 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.452 ' O ' ' CD2' ' B' ' 68' ' ' HIS . 97.6 mttt -158.18 144.1 17.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.599 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 2.5 p30 -94.96 127.76 41.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.333 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.638 HG23 ' CZ ' ' B' ' 73' ' ' PHE . 42.4 m -73.26 147.13 44.87 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.999 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.583 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -157.15 127.63 1.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.218 -0.991 . . . . 0.0 112.646 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.974 HD13 HG23 ' D' ' 8' ' ' VAL . 2.8 pp -161.59 138.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.994 0.425 . . . . 0.0 111.299 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' D' ' 7' ' ' GLN . 21.8 pt20 -104.12 82.71 1.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.974 HG23 HD13 ' D' ' 6' ' ' ILE . 62.7 t -69.7 133.62 31.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.812 0.339 . . . . 0.0 110.955 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 57.7 m-20 -159.19 43.16 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.618 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.687 ' HD2' HD13 ' D' ' 12' ' ' LEU . 11.7 tpt180 59.65 43.76 15.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.475 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -84.18 48.17 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.468 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.687 HD13 ' HD2' ' D' ' 10' ' ' ARG . 4.4 mp -86.21 46.41 1.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.74 0.305 . . . . 0.0 111.289 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -177.8 126.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.965 0.412 . . . . 0.0 110.968 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -86.56 52.38 4.46 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.633 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -170.83 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.675 0.274 . . . . 0.0 111.233 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 78.7 p -168.15 140.87 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 111.09 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -54.58 135.68 46.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.065 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . 0.468 ' HB2' ' NZ ' ' D' ' 18' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.347 -0.835 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.854 0.359 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.12 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.777 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -178.51 133.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.596 ' HG3' HG21 ' A' ' 26' ' ' THR . 5.3 tmm_? -177.17 129.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.427 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 4' ' ' ARG . 23.1 tptm -176.43 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.065 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.634 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 60.27 127.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.081 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.3 m -86.42 137.3 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.028 0.442 . . . . 0.0 112.144 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.617 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -82.58 150.18 4.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.805 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -141.43 -44.11 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.415 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 21.5 t-20 -126.29 51.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.184 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -60.77 140.03 57.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -172.56 56.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.284 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 19.6 ptm -172.48 172.42 4.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.969 0.414 . . . . 0.0 111.293 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.8 m -48.06 142.57 5.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.678 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 56.1 mt-10 -56.95 -45.62 82.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.559 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.61 -43.2 99.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.271 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.433 ' HB3' ' CE ' ' A' ' 13' ' ' MET . 65.9 mtt -58.88 -51.06 71.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.324 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.761 ' CB ' HD12 ' A' ' 74' ' ' ILE . 12.7 pt20 -58.27 -38.27 76.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.411 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 97.6 mm-40 -65.63 -44.32 86.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.24 -37.18 86.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.413 ' OG ' HD23 ' A' ' 85' ' ' LEU . 48.1 t -66.5 -45.62 78.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 18' ' ' GLN . 57.7 t -62.82 -48.37 88.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.616 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.63 -41.5 92.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.188 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.8 t -62.85 -35.46 80.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.847 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.866 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -67.69 -38.32 83.53 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.236 0.541 . . . . 0.0 109.616 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.596 HG21 ' HG3' ' A' ' 4' ' ' ARG . 87.4 m -60.6 -44.11 96.64 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -59.94 -44.64 94.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.355 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.93 -42.34 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.759 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.844 HD23 HD11 ' A' ' 38' ' ' ILE . 51.6 mt -60.39 -50.26 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.57 -31.13 71.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.263 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 60.0 mttp -79.28 -32.56 43.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.713 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 5.8 m-85 -139.61 -44.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 112.168 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.659 ' O ' HD13 ' A' ' 34' ' ' ILE . 23.9 t-20 69.65 53.17 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 110.583 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 33' ' ' ASN . 49.5 mm -145.29 127.34 9.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -48.35 -50.27 31.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.558 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 36' ' ' LYS . 35.1 ttpt -62.32 -56.96 13.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.457 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -55.51 -45.55 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.011 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.844 HD11 HD23 ' A' ' 29' ' ' LEU . 96.6 mt -50.5 -43.37 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.771 0.32 . . . . 0.0 111.397 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.25 81.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.563 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.449 ' HB1' ' NZ ' ' A' ' 44' ' ' LYS . . . -67.68 -45.67 74.53 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 32' ' ' TYR . 17.4 m-70 -63.7 -52.04 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 111.795 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.866 HD11 ' HA ' ' A' ' 25' ' ' ALA . 55.6 mt -63.13 -49.64 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.06 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 43' ' ' LYS . 5.8 tmmm? -56.33 -57.52 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' NZ ' ' HB1' ' A' ' 40' ' ' ALA . 58.3 mttp -60.79 -42.74 98.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' OE2' ' HE2' ' A' ' 49' ' ' LYS . 34.4 tp10 -53.36 -50.15 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.83 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.473 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 14.2 m-85 -69.94 -41.4 74.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 58.0 m-20 -52.41 -32.89 41.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.238 0.542 . . . . 0.0 109.901 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.49 -46.23 23.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.661 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HE2' ' OE2' ' A' ' 45' ' ' GLU . 67.4 mttm -82.38 -60.51 2.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.548 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.2 m-85 -81.32 -17.84 47.82 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.0 m120 90.17 143.12 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.315 0 C-N-CA 122.698 0.399 . . . . 0.0 110.167 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 19.0 Cg_endo -60.42 167.97 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.426 2.084 . . . . 0.0 113.074 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.541 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 9.0 t -113.1 132.11 55.56 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.679 0.392 . . . . 0.0 111.304 0.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.576 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 33.0 m95 -106.78 132.14 53.09 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.189 0.519 . . . . 0.0 111.823 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.495 ' ND1' HG13 ' B' ' 66' ' ' VAL . 15.6 m-70 -107.73 134.86 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.427 -0.806 . . . . 0.0 108.891 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 51.3 t -138.84 151.86 47.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.423 0.63 . . . . 0.0 112.41 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.542 HG23 ' O ' ' B' ' 63' ' ' GLY . 55.0 mt -150.21 144.7 17.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.664 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.7 t -146.95 129.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.969 0.414 . . . . 0.0 111.102 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.81 -132.82 1.9 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.183 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.687 ' HD2' HD12 ' C' ' 12' ' ' LEU . 38.8 ptt180 -179.01 36.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 13.4 t-20 171.37 78.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.301 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.488 ' CD2' ' CB ' ' B' ' 62' ' ' PHE . 23.4 p90 -167.24 133.68 2.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -83.47 133.19 11.66 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 177.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.52 ' HB3' HD11 ' C' ' 6' ' ' ILE . 43.8 t -128.04 144.07 51.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.848 0.824 . . . . 0.0 113.092 -178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.457 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 0.9 OUTLIER -149.49 121.72 8.37 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.447 178.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.57 HG12 ' N ' ' A' ' 67' ' ' THR . 21.5 t -153.54 168.57 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.405 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.804 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 92.5 m -119.68 143.18 47.87 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 31.7 p80 -163.56 152.88 14.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.008 0.432 . . . . 0.0 111.59 -178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -58.67 138.21 57.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.991 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.408 HG22 ' CG ' ' C' ' 2' ' ' LYS . 60.9 p -58.31 147.97 29.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.221 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.649 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 7.1 mmpt? 67.53 36.4 3.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.129 0.49 . . . . 0.0 110.206 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -153.57 48.68 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.292 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.659 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 7.1 t80 -156.54 146.57 21.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.085 0.469 . . . . 0.0 111.412 -179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.761 HD12 ' CB ' ' A' ' 18' ' ' GLN . 9.8 tt -159.88 141.69 4.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.247 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.733 ' HD2' HD13 ' A' ' 84' ' ' LEU . 2.6 t80 -135.44 135.74 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.379 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 8.5 p90 -165.69 140.53 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.171 0.51 . . . . 0.0 112.06 -178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 6.1 m-85 -83.46 154.72 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.634 HD13 ' HB2' ' A' ' 6' ' ' ALA . 55.5 tp -161.25 136.9 7.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.065 0.46 . . . . 0.0 111.685 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 67.44 -66.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.953 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 80' ' ' GLN . 51.0 tt0 179.8 36.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 110.099 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.2 m -159.45 134.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.925 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.607 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.09 122.65 19.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' HE1' ' A' ' 76' ' ' PHE . 58.4 mt -100.7 143.05 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.04 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.733 HD13 ' HD2' ' A' ' 75' ' ' TYR . 64.0 tp -134.23 139.92 46.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.413 HD23 ' OG ' ' A' ' 21' ' ' SER . 56.3 tp -158.52 136.75 10.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.487 ' CB ' ' HA ' ' A' ' 73' ' ' PHE . 4.3 p90 -174.36 127.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 20.9 ptmt -96.06 170.39 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.286 0.565 . . . . 0.0 111.826 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.462 ' O ' HG22 ' A' ' 53' ' ' THR . 58.6 m -148.33 133.02 17.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.65 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.285 -1.286 . . . . 0.0 112.353 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.781 0.324 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . 0.418 ' HB3' ' CZ ' ' B' ' 4' ' ' ARG . 42.5 t -175.83 42.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.69 38.78 11.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.661 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.418 ' CZ ' ' HB3' ' B' ' 2' ' ' CYS . 1.0 OUTLIER -95.15 35.43 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 111.096 179.147 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.978 ' HE3' HD11 ' B' ' 78' ' ' LEU . 0.0 OUTLIER -54.67 -29.88 53.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.957 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -53.06 127.07 22.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.095 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 25.8 m -91.67 137.04 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.974 0.416 . . . . 0.0 111.609 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.619 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -83.49 128.74 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.178 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.627 ' HE3' ' HA ' ' B' ' 9' ' ' LYS . 0.0 OUTLIER -86.89 -42.06 13.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.23 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -171.22 63.69 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.83 0.347 . . . . 0.0 111.349 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.19 145.24 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.475 ' HB2' ' HB3' ' B' ' 73' ' ' PHE . 59.1 m-20 -156.59 61.74 0.54 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.995 0.426 . . . . 0.0 111.459 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 22.0 ptm -173.24 -174.08 0.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.964 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.0 m -53.8 137.1 39.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.331 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.467 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 12.3 pt-20 -56.33 -44.9 80.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.403 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.535 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 16.5 pt-20 -58.06 -45.96 86.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.503 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.66 -46.42 88.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.82 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.6 pt20 -66.73 -38.27 86.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.604 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.535 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.9 pt20 -73.29 -36.01 66.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.519 -0.473 . . . . 0.0 110.511 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -69.9 -36.25 75.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.698 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 88.2 p -67.58 -42.39 82.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.942 0.401 . . . . 0.0 110.079 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.82 HG23 ' O ' ' B' ' 18' ' ' GLN . 61.4 t -63.74 -48.95 84.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.393 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -66.18 -43.28 87.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.882 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.5 t -65.12 -36.18 83.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.903 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.674 ' CA ' HD11 ' B' ' 42' ' ' ILE . . . -67.74 -45.52 74.73 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.454 HG23 ' HE2' ' B' ' 5' ' ' LYS . 87.1 m -54.63 -42.04 70.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.187 179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.45 ' HG2' ' CD ' ' B' ' 31' ' ' LYS . 39.8 tt0 -59.75 -43.38 94.29 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.043 179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.49 -44.97 77.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.211 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.498 ' HG ' HD11 ' B' ' 38' ' ' ILE . 7.4 mp -61.06 -48.06 83.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.83 0.348 . . . . 0.0 111.37 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 22.9 pt-20 -67.92 -31.12 70.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.586 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' B' ' 27' ' ' GLN . 55.9 mtpt -79.43 -27.53 41.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.702 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.549 ' CE2' ' CE1' ' B' ' 41' ' ' HIS . 57.0 m-85 -146.56 -43.02 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.455 ' HA ' ' HA ' ' B' ' 29' ' ' LEU . 49.2 t30 70.23 51.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.937 0.398 . . . . 0.0 111.087 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.527 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.2 mt -134.5 126.56 48.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -50.87 -47.76 60.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -65.71 -55.67 16.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 0.0 111.848 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.47 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.4 m-20 -54.11 -44.75 71.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.451 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.53 ' HA ' ' HB1' ' B' ' 28' ' ' ALA . 97.3 mt -47.04 -48.31 8.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.811 ' HB1' ' SG ' ' B' ' 56' ' ' CYS . . . -59.91 -37.92 80.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.457 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -63.68 -48.89 75.32 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.549 ' CE1' ' CE2' ' B' ' 32' ' ' TYR . 34.3 m-70 -57.9 -50.99 71.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 110.656 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.674 HD11 ' CA ' ' B' ' 25' ' ' ALA . 61.8 mt -67.35 -34.0 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.641 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.413 ' O ' ' OD2' ' B' ' 47' ' ' ASP . 29.2 tptp -57.87 -68.67 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.568 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -58.48 -43.8 89.11 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -53.17 -48.37 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.497 ' CE1' HG23 ' B' ' 42' ' ' ILE . 5.7 m-85 -75.02 -42.87 56.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 58.2 m-20 -57.99 -40.09 79.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.01 0.433 . . . . 0.0 110.959 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -74.43 -41.13 61.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.841 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -78.37 -70.24 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.3 m-85 -78.77 -13.67 59.69 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -177.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 61.8 m-20 92.91 143.0 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 C-N-CA 122.726 0.411 . . . . 0.0 110.496 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.439 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 35.3 Cg_endo -64.67 171.28 8.59 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.533 2.155 . . . . 0.0 113.101 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.71 HG22 ' O ' ' B' ' 88' ' ' SER . 12.6 t -117.37 114.96 24.31 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 121.075 0.464 . . . . 0.0 111.24 0.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -88.63 120.66 30.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.874 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.432 ' CD2' ' HG ' ' B' ' 88' ' ' SER . 35.0 m-70 -89.2 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.811 ' SG ' ' HB1' ' B' ' 39' ' ' ALA . 18.2 p -142.3 143.16 32.67 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.146 -0.621 . . . . 0.0 112.599 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.736 HD13 ' O ' ' B' ' 56' ' ' CYS . 28.7 mm -143.33 149.54 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.73 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -153.56 132.54 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.861 0.362 . . . . 0.0 111.257 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.01 -135.06 2.05 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.602 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.5 ptt180 -176.86 37.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.661 0.267 . . . . 0.0 111.082 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.602 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 20.5 t-20 165.31 81.64 0.0 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.209 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.84 ' CE1' HG21 ' D' ' 8' ' ' VAL . 18.3 p90 -176.4 140.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -93.71 142.08 15.84 Favored Glycine 0 N--CA 1.454 -0.135 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.937 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -144.31 146.35 32.55 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 117.861 0.83 . . . . 0.0 113.051 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' D' ' 4' ' ' THR . 14.7 m-85 -139.25 136.45 34.96 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.168 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.53 ' HB ' HG22 ' D' ' 4' ' ' THR . 17.1 t -158.41 158.19 2.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.647 -178.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.407 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.0 m -105.51 152.51 22.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -169.16 147.21 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -67.01 156.86 34.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.17 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.636 HG23 ' H2 ' ' D' ' 1' ' ' MET . 77.2 p -61.95 157.1 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.62 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.609 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 66.04 36.78 5.59 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.235 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.0 m-70 -163.47 69.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.475 ' HB3' ' HB2' ' B' ' 12' ' ' ASP . 1.5 t80 -154.59 127.24 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.956 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.652 ' O ' HD12 ' B' ' 84' ' ' LEU . 13.2 tt -154.83 146.15 13.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.294 0.568 . . . . 0.0 111.718 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.768 ' HD2' HD13 ' B' ' 84' ' ' LEU . 2.1 t80 -155.66 136.56 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.135 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.548 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.9 p90 -165.24 142.27 5.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -78.85 149.75 32.43 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.988 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.978 HD11 ' HE3' ' B' ' 5' ' ' LYS . 28.1 tp -158.05 133.61 8.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.969 0.414 . . . . 0.0 111.895 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' B' ' 80' ' ' GLN . . . 66.77 -66.48 0.18 Allowed Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.868 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.587 ' HG2' HD13 ' D' ' 12' ' ' LEU . 39.7 tt0 179.0 38.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.096 0.474 . . . . 0.0 109.837 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.427 HG13 ' O ' ' B' ' 80' ' ' GLN . 31.5 m -159.42 137.83 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.176 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.715 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -71.68 137.67 48.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.988 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.6 mt -122.33 141.62 42.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.288 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.768 HD13 ' HD2' ' B' ' 75' ' ' TYR . 54.8 tp -136.11 139.65 43.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.61 ' O ' HG22 ' B' ' 74' ' ' ILE . 53.3 tp -154.43 141.45 19.3 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.029 0.443 . . . . 0.0 111.141 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 3.3 p90 -178.45 128.22 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.948 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.761 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 18.5 ptpt -80.06 164.34 23.48 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.178 0.513 . . . . 0.0 111.684 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.71 ' O ' HG22 ' B' ' 53' ' ' THR . 62.3 m -146.56 134.27 21.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.693 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.526 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.789 0.328 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' C' ' 2' ' ' LYS . 0.1 OUTLIER -164.52 142.86 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.114 0.483 . . . . 0.0 110.983 179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.804 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -86.99 132.87 33.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.33 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 10.9 t -74.79 143.59 43.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.615 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -143.76 118.55 1.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.21 -0.995 . . . . 0.0 112.44 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.615 HG23 ' O ' ' C' ' 5' ' ' GLY . 2.5 pp -163.09 168.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.183 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.422 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 26.5 pt20 -152.92 130.6 11.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.787 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.634 HG21 ' OH ' ' A' ' 75' ' ' TYR . 53.6 t -119.09 136.83 55.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.803 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.22 -0.445 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -71.55 129.65 39.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -83.53 52.35 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.204 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.687 HD12 ' HD2' ' A' ' 60' ' ' ARG . 81.3 mt -53.54 -27.95 28.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.856 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 62.98 135.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.87 39.57 2.74 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.897 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 61.2 pttt 177.22 126.52 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.633 0.254 . . . . 0.0 110.318 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.4 t 62.21 135.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.629 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -58.02 126.76 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' C' ' 18' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.636 ' H2 ' HG23 ' B' ' 70' ' ' THR . 3.5 mpp? . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 120.67 0.271 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -158.94 136.03 9.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.8 p-10 -73.74 119.48 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.831 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.53 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.9 t -69.65 138.58 53.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.709 178.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.637 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -142.88 125.05 2.5 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.013 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.886 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -162.15 146.92 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.229 0.538 . . . . 0.0 111.992 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 15.2 pt20 -125.18 108.32 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.218 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.84 HG21 ' CE1' ' B' ' 62' ' ' PHE . 23.9 t -72.15 131.69 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.711 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -161.57 48.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.377 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.401 ' HG2' HD21 ' D' ' 12' ' ' LEU . 29.8 tpt180 -55.6 134.37 50.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -76.43 54.31 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.297 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.587 HD13 ' HG2' ' B' ' 80' ' ' GLN . 79.6 mt -78.29 46.43 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.481 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -161.21 -47.43 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.82 -133.18 2.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.371 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.44 -43.55 93.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' D' ' 17' ' ' HIS . 80.4 p -177.44 130.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' D' ' 16' ' ' SER . 91.9 m-70 -161.18 -44.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.765 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.724 0.297 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.1 p -179.02 136.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 63.15 136.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -60.46 133.49 56.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 31.8 mmmt -157.99 -105.4 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.573 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.812 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 67.74 129.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.936 0.398 . . . . 0.0 111.24 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -97.25 139.58 19.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.221 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.601 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.5 mp -79.76 147.24 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.953 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.96 -36.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 76.2 m-20 -143.47 48.67 1.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.624 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.12 143.75 56.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.499 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -162.29 54.19 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 111.496 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.5 ptp -169.68 -174.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.7 p -60.94 143.06 55.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.034 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.1 mt-10 -54.45 -43.06 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.617 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 17' ' ' MET . 12.3 pt-20 -58.03 -47.79 82.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.819 -179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 67.5 mtt -57.21 -51.12 70.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.697 0.284 . . . . 0.0 111.585 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.891 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.8 pt20 -60.5 -37.2 80.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.121 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.27 -44.08 80.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.121 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.527 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 1.2 m-20 -65.45 -37.64 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.0 p -66.88 -41.16 87.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.83 0.348 . . . . 0.0 110.236 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.896 HG22 ' CE2' ' A' ' 76' ' ' PHE . 59.9 t -64.87 -48.63 83.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.678 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -67.47 -41.88 83.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.13 -33.35 75.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.809 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.92 -40.82 75.33 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 109.775 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -60.23 -48.14 83.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.257 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 73.5 mt-30 -58.25 -38.73 77.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.676 178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -54.1 -49.58 68.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.904 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.839 ' CD2' HD11 ' A' ' 38' ' ' ILE . 63.3 mt -58.73 -43.8 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.865 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.79 -33.69 73.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.435 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.514 ' HG3' ' HD1' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -87.71 -44.8 10.9 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.514 ' HD1' ' HG3' ' A' ' 31' ' ' LYS . 92.6 m-85 -110.35 -45.91 3.49 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.868 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 21.6 t-20 67.88 43.72 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.103 0.478 . . . . 0.0 110.161 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.569 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.5 mt -153.44 122.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.461 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.648 ' HA ' HD12 ' A' ' 38' ' ' ILE . 11.8 pt-20 -43.94 -44.56 7.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.018 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -58.89 -58.81 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.434 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HB3' ' CG ' ' A' ' 32' ' ' TYR . 57.4 m-20 -57.45 -42.83 83.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.549 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.839 HD11 ' CD2' ' A' ' 29' ' ' LEU . 91.8 mt -48.42 -52.59 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.156 0.503 . . . . 0.0 111.195 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.677 ' HB1' ' CB ' ' A' ' 56' ' ' CYS . . . -64.75 -30.47 71.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.325 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.26 -62.83 1.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.506 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -61.93 -47.25 85.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.303 -178.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.809 HD11 ' HA ' ' A' ' 25' ' ' ALA . 83.4 mt -57.38 -38.86 64.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.237 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -61.33 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.155 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -57.56 -44.22 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.746 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.16 -52.64 64.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.653 0.263 . . . . 0.0 111.053 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.639 ' CD2' HD21 ' A' ' 85' ' ' LEU . 44.6 m-85 -66.15 -42.0 89.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.675 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 6.3 t0 -59.82 -36.4 76.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.506 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.56 -44.31 19.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.316 -179.228 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -78.0 -66.89 0.79 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.564 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.1 m-85 -79.06 -20.55 48.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.633 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.3 143.6 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.656 0.382 . . . . 0.0 110.205 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.44 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 13.6 Cg_endo -57.4 170.51 1.7 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.631 2.22 . . . . 0.0 113.102 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 88' ' ' SER . 13.5 t -116.74 109.66 17.43 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 121.05 0.453 . . . . 0.0 111.193 0.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.759 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.0 m95 -85.77 124.29 32.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.462 -179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.499 ' HD1' HG13 ' B' ' 66' ' ' VAL . 45.1 m-70 -91.44 131.29 37.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.986 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.677 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . 80.1 m -120.56 139.99 52.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.237 0.541 . . . . 0.0 111.856 -178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.437 HG23 ' O ' ' B' ' 63' ' ' GLY . 56.7 mt -151.49 137.55 11.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.674 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.3 t -153.21 135.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.23 0.538 . . . . 0.0 111.468 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.4 -132.07 1.86 Allowed Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.706 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 26.3 ptt-85 -178.89 35.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 38.4 t30 167.71 81.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.648 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 15.1 p90 -166.92 138.08 3.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.425 0.631 . . . . 0.0 112.618 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.64 142.32 16.02 Favored Glycine 0 N--CA 1.454 -0.164 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.8 m -159.84 154.64 24.44 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 22.0 m-85 -144.03 142.42 30.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 114.576 -1.193 . . . . 0.0 110.067 178.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 67' ' ' THR . 54.2 t -157.46 166.73 0.81 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.897 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.602 ' N ' HG12 ' A' ' 66' ' ' VAL . 91.5 m -126.24 142.41 51.54 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.9 p80 -162.65 151.88 15.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.653 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 12.3 pt-20 -60.82 145.71 48.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.689 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.2 p -59.77 152.75 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.692 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 66.58 37.54 4.43 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.146 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.427 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 64.3 m80 -157.54 56.42 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 5.6 t80 -164.76 144.91 7.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.148 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.872 HD13 ' N ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -158.37 135.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-O 121.07 0.462 . . . . 0.0 111.25 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.872 ' N ' HD13 ' A' ' 74' ' ' ILE . 45.3 t80 -134.16 142.42 47.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.653 179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.896 ' CE2' HG22 ' A' ' 22' ' ' VAL . 1.1 p90 -169.92 137.84 1.69 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.145 0.497 . . . . 0.0 111.999 -178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -83.0 154.82 24.28 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.146 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.812 HD13 ' HB2' ' A' ' 6' ' ' ALA . 51.3 tp -161.09 131.27 5.04 Favored 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.99 -66.47 0.13 Allowed Glycine 0 C--N 1.334 0.468 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.236 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.463 ' O ' HG13 ' A' ' 81' ' ' VAL . 26.3 pt20 -178.62 36.86 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.079 0.466 . . . . 0.0 110.173 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.1 m -160.34 135.16 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -82.43 125.27 30.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 -179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.568 ' N ' HD12 ' A' ' 83' ' ' ILE . 3.2 mp -103.77 140.07 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.262 178.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 64.3 tp -136.8 138.8 41.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.743 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.639 HD21 ' CD2' ' A' ' 46' ' ' PHE . 58.0 tp -156.66 139.41 15.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.828 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.529 ' CZ ' HG11 ' A' ' 66' ' ' VAL . 2.6 p90 -176.2 128.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.437 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.759 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -81.54 163.5 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.643 -179.654 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.735 ' O ' HG22 ' A' ' 53' ' ' THR . 47.1 t -141.81 132.92 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.833 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.529 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.795 0.331 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 85.3 m 63.08 139.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -157.79 134.43 9.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 59.12 42.14 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.583 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.751 ' HE3' HD11 ' B' ' 78' ' ' LEU . 0.0 OUTLIER -46.99 -27.78 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.135 179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.913 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -47.79 132.97 14.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.797 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -96.56 137.06 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.631 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -88.64 144.35 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.046 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -124.15 -50.36 1.8 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.496 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -100.05 -58.92 1.81 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.351 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.777 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . 60.93 136.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.046 0.451 . . . . 0.0 111.677 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' B' ' 73' ' ' PHE . 36.8 t70 -179.58 48.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.207 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.852 ' HE2' ' HB3' ' B' ' 17' ' ' MET . 86.4 mtp -152.38 138.38 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.632 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 63.2 p -45.13 147.35 0.73 Allowed 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' B' ' 19' ' ' GLN . 12.2 pt-20 -39.25 -46.23 1.49 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.512 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 23.0 pt-20 -65.2 -44.3 88.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.787 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.852 ' HB3' ' HE2' ' B' ' 13' ' ' MET . 90.1 mtp -63.78 -45.14 91.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.289 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.791 ' O ' HG23 ' B' ' 22' ' ' VAL . 17.7 pt20 -67.49 -38.77 84.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.652 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.4 pt20 -71.56 -32.54 68.21 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.408 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -69.5 -40.78 76.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.754 0.312 . . . . 0.0 110.521 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -69.24 -44.59 71.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.977 0.418 . . . . 0.0 110.037 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 18' ' ' GLN . 62.0 t -66.17 -43.2 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.427 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -69.06 -42.54 76.12 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.11 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 43.4 t -65.61 -34.97 79.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.662 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.689 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.38 -38.55 78.07 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.185 0.517 . . . . 0.0 109.875 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m -59.92 -45.91 91.05 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.173 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -61.3 -38.85 88.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.806 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.49 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -55.26 -46.06 76.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.287 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.718 ' CD2' HD11 ' B' ' 38' ' ' ILE . 70.6 mt -64.32 -45.54 87.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.014 0.435 . . . . 0.0 111.141 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -69.66 -32.92 71.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.231 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -84.32 -35.18 23.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.979 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -121.74 -44.48 2.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.841 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 64.95 41.58 4.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.502 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.9 mt -152.74 112.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.449 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.666 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.7 OUTLIER -41.3 -41.91 2.04 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.26 -179.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -59.02 -56.16 25.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.241 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -61.95 -40.49 95.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.698 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.718 HD11 ' CD2' ' B' ' 29' ' ' LEU . 81.6 mt -46.45 -54.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.011 0.434 . . . . 0.0 111.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.06 -26.41 68.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.114 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -67.69 -63.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.49 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.86 -46.55 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.661 -178.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.689 HD11 ' HA ' ' B' ' 25' ' ' ALA . 68.3 mt -59.61 -46.71 92.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.612 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.47 ' HB3' ' NZ ' ' B' ' 43' ' ' LYS . 4.5 ttpm? -58.03 -50.0 74.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.774 0.321 . . . . 0.0 111.158 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -59.31 -45.06 92.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.562 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.54 -49.09 73.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.747 0.308 . . . . 0.0 111.056 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' B' ' 85' ' ' LEU . 28.7 m-85 -63.5 -45.95 88.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.565 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 64.4 m-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.407 . . . . 0.0 110.794 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.5 tmtp? -76.12 -40.7 52.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.433 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -82.62 -60.87 2.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.518 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.27 -21.47 31.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 64.0 m-20 93.54 142.27 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.415 0 C-N-CA 122.656 0.382 . . . . 0.0 109.995 -179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.98 168.65 0.79 Allowed 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.311 2.008 . . . . 0.0 112.786 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 88' ' ' SER . 9.9 t -117.87 118.97 33.46 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 122.63 0.372 . . . . 0.0 111.256 0.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.621 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.9 m95 -94.11 127.6 40.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.344 0.592 . . . . 0.0 112.368 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.534 ' ND1' HG13 ' A' ' 66' ' ' VAL . 32.7 m-70 -101.39 137.79 39.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.125 178.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.6 t -139.64 149.4 43.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.347 0.594 . . . . 0.0 112.273 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.497 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 62.9 mt -150.73 143.04 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.803 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 58.2 t -155.1 132.44 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.884 0.374 . . . . 0.0 111.418 -179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 173.88 -141.63 6.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.692 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.725 ' CZ ' HD12 ' D' ' 12' ' ' LEU . 25.3 mmt180 -160.44 37.85 0.17 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 163.97 83.17 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.648 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 9.7 p90 -164.78 141.91 6.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.437 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -89.59 142.28 16.58 Favored Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 55.4 m -144.68 145.41 31.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.567 0.683 . . . . 0.0 112.512 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.478 ' CE1' ' HE2' ' A' ' 43' ' ' LYS . 3.7 t80 -152.31 129.78 11.41 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.257 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.624 HG12 ' N ' ' B' ' 67' ' ' THR . 45.7 t -158.33 168.61 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.121 -178.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.624 ' N ' HG12 ' B' ' 66' ' ' VAL . 99.6 m -124.5 142.09 51.59 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -161.29 148.22 14.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.091 0.472 . . . . 0.0 112.073 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.74 154.44 33.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.21 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.464 HG23 ' H1 ' ' D' ' 1' ' ' MET . 74.5 p -62.85 154.32 30.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.675 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.61 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.14 38.45 8.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 88.9 m-70 -162.84 69.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.274 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.656 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 5.5 t80 -176.86 145.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.732 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.444 ' O ' HG23 ' B' ' 74' ' ' ILE . 11.9 tt -163.32 125.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.123 0.487 . . . . 0.0 111.842 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.478 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 45.5 t80 -117.87 136.44 53.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.151 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.617 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.9 p90 -170.04 138.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.004 0.431 . . . . 0.0 111.546 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -78.85 147.2 33.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.913 HD13 ' HB2' ' B' ' 6' ' ' ALA . 48.2 tp -162.63 144.96 10.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.82 39.64 68.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.322 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.463 ' O ' HG13 ' B' ' 81' ' ' VAL . 10.0 mm100 59.67 36.75 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.608 0.242 . . . . 0.0 110.999 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.504 HG22 ' O ' ' B' ' 78' ' ' LEU . 28.8 m -159.92 136.99 2.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.478 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.44 136.66 51.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.593 HD12 ' HB3' ' B' ' 78' ' ' LEU . 60.8 mt -127.67 143.96 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 63.0 tp -139.38 140.76 37.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.691 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.532 HD21 ' CE2' ' B' ' 46' ' ' PHE . 57.6 tp -153.61 138.73 17.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.759 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.656 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 2.2 p90 -177.56 131.31 0.16 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.317 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.621 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 63.5 pttt -91.73 148.69 22.06 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.182 0.515 . . . . 0.0 111.882 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.625 ' O ' HG22 ' B' ' 53' ' ' THR . 46.8 t -119.64 129.55 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.673 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.597 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.506 ' HE3' HG22 ' A' ' 67' ' ' THR . 93.9 mmm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.792 0.329 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.496 ' NZ ' ' HB3' ' C' ' 2' ' ' LYS . 8.4 mtpm? -158.18 130.42 7.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.568 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 43.5 p-10 -76.57 120.45 21.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.635 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.529 HG21 ' HE2' ' A' ' 73' ' ' PHE . 11.7 t -80.25 132.8 35.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.257 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.02 134.05 9.05 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.799 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 pt -153.59 167.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.517 0.675 . . . . 0.0 112.261 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 2.9 tp60 -158.74 76.77 0.74 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.841 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.555 HG22 ' OH ' ' A' ' 75' ' ' TYR . 48.1 t -69.37 146.24 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.112 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.793 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.672 -0.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -66.51 134.49 52.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.435 ' HA ' ' HD2' ' C' ' 18' ' ' LYS . 9.4 t70 -176.57 51.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.415 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.576 HD12 ' N ' ' C' ' 12' ' ' LEU . 5.3 mp -75.58 45.32 0.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.184 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -135.94 141.75 44.53 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.669 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.81 -133.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.659 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.464 ' HB3' ' NZ ' ' C' ' 15' ' ' LYS . 7.9 mtpm? -59.42 -41.87 90.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 111.171 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 51.8 m -57.83 127.45 32.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 111.235 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -79.65 138.09 37.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' C' ' 11' ' ' ASP . 28.0 mtpp . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.81 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.464 ' H1 ' HG23 ' B' ' 70' ' ' THR . 1.9 mpt? . . . . . 0 N--CA 1.489 1.518 0 CA-C-O 120.735 0.302 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' D' ' 2' ' ' LYS . 5.8 mmpt? -148.56 132.55 17.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.007 0.432 . . . . 0.0 110.816 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 43.3 p-10 -75.59 122.61 24.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.548 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.525 HG22 ' HB ' ' B' ' 66' ' ' VAL . 12.7 t -76.32 137.66 40.0 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.429 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.407 ' O ' ' CG2' ' D' ' 6' ' ' ILE . . . -135.34 127.06 4.2 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.975 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.407 ' CG2' ' O ' ' D' ' 5' ' ' GLY . 47.5 pt -157.5 170.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.092 0.473 . . . . 0.0 111.432 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -162.15 87.58 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.985 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 48.2 t -69.5 146.11 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.341 -179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.6 t70 -179.68 44.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.113 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.501 ' N ' ' HD2' ' D' ' 10' ' ' ARG . 0.4 OUTLIER -75.56 -44.86 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.647 -179.463 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 63.51 45.54 4.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.18 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.725 HD12 ' CZ ' ' B' ' 60' ' ' ARG . 67.6 mt -75.49 55.42 0.81 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.421 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.01 135.08 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.078 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.36 -122.16 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.52 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -48.28 -42.61 31.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -61.22 136.98 58.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.611 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . 0.494 ' CD2' ' HG2' ' D' ' 18' ' ' LYS . 23.0 p-80 -50.37 -47.66 56.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.182 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . 0.494 ' HG2' ' CD2' ' D' ' 17' ' ' HIS . 21.7 pttm . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' HG2' ' A' ' 1' ' ' MET . 51.3 ttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 121.055 0.455 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.9 m -63.66 -45.45 90.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.37 56.12 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.349 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 28.9 tpt180 -87.77 43.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.0 0.428 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -79.48 -133.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.287 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.741 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . 64.21 128.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.786 0.326 . . . . 0.0 111.565 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 23.9 m -108.72 137.92 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.783 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.846 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -85.09 138.91 18.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.799 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -119.42 -48.32 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.372 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -93.7 -58.52 2.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.846 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . 61.2 129.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.511 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 64.8 t0 179.03 47.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.057 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.485 ' HE3' ' N ' ' A' ' 73' ' ' PHE . 58.8 mtt -157.93 144.95 18.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.629 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -49.38 144.66 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.64 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.7 pt-20 -42.13 -40.54 2.35 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.592 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.47 -45.79 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.468 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.412 ' HB3' ' HB3' ' A' ' 13' ' ' MET . 46.7 ttm -60.69 -50.32 73.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.667 0.27 . . . . 0.0 111.154 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.539 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.6 pt20 -61.77 -35.54 78.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.865 0.364 . . . . 0.0 110.469 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.11 -44.56 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.41 -36.95 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.685 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.7 m -64.56 -43.4 94.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.986 0.422 . . . . 0.0 109.925 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' GLN . 75.5 t -63.27 -47.47 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.66 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.8 -44.64 85.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.341 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.1 m -63.63 -32.51 74.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.948 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.716 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -71.31 -38.37 71.75 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.436 ' HA ' HD12 ' A' ' 29' ' ' LEU . 87.2 m -62.41 -47.32 84.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.349 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 54.1 tt0 -60.2 -48.73 80.5 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.938 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.949 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -53.19 -35.41 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.825 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.568 HD23 HD11 ' A' ' 38' ' ' ILE . 44.8 mt -63.09 -54.92 30.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.035 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 20.4 pt-20 -59.19 -21.11 58.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.081 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 31.3 mmmt -71.13 -40.65 71.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CD1' ' HB3' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -153.75 -45.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.058 179.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' ND2' HD22 ' A' ' 29' ' ' LEU . 26.0 t-20 67.87 57.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.516 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 34' ' ' ILE . 30.8 mt -136.44 29.45 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 38' ' ' ILE . 8.1 mp0 64.29 -63.47 0.16 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.424 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.3 ttpm? -56.61 -57.0 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 111.441 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.591 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.4 m-20 -58.35 -40.31 81.84 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.199 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.949 ' HA ' ' HB1' ' A' ' 28' ' ' ALA . 56.1 mt -49.83 -46.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.312 0.577 . . . . 0.0 110.07 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 43' ' ' LYS . . . -67.02 -25.86 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.988 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 37' ' ' ASP . . . -62.52 -47.88 82.0 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.027 0.441 . . . . 0.0 110.692 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.485 ' NE2' ' HG3' ' A' ' 31' ' ' LYS . 66.4 m-70 -68.41 -47.49 67.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.379 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.789 ' CG2' HD22 ' A' ' 85' ' ' LEU . 60.9 mt -63.25 -44.55 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.522 . . . . 0.0 112.013 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 39' ' ' ALA . 14.9 ptmm? -62.93 -48.22 79.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.663 0.268 . . . . 0.0 111.576 -179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 43' ' ' LYS . 67.1 mttm -70.26 -44.6 68.11 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -54.47 -51.74 64.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.479 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -70.09 -41.49 73.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 5.2 t0 -57.88 -37.18 73.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.44 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.51 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.2 tmtt? -75.98 -45.36 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.784 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -81.94 -64.01 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 4.8 m-85 -76.38 -21.97 55.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.552 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 35.4 t30 92.2 137.44 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.475 0 O-C-N 123.289 0.368 . . . . 0.0 110.25 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.432 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 8.0 Cg_endo -50.52 169.77 0.15 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.772 2.315 . . . . 0.0 113.269 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.889 HG22 ' O ' ' A' ' 88' ' ' SER . 12.9 t -117.41 106.64 13.43 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 121.161 0.505 . . . . 0.0 111.416 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.73 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 22.3 m95 -85.88 122.46 29.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.102 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.466 ' ND1' HG13 ' B' ' 66' ' ' VAL . 32.3 m-70 -96.35 133.87 40.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.818 ' C ' HD12 ' A' ' 57' ' ' ILE . 42.8 t -132.7 138.61 47.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.396 0.617 . . . . 0.0 112.401 -178.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.927 HD13 HD23 ' A' ' 84' ' ' LEU . 2.7 mp -137.67 139.48 43.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.378 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 47.9 t -144.77 137.16 21.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.018 0.437 . . . . 0.0 111.305 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.83 -133.27 2.59 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.06 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.5 ptt180 -179.72 37.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.737 0.304 . . . . 0.0 111.564 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 174.19 77.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.355 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.745 ' CE2' HG21 ' A' ' 57' ' ' ILE . 5.7 p90 -170.08 134.96 1.3 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.036 0.446 . . . . 0.0 111.796 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -107.36 139.24 14.9 Favored Glycine 0 N--CA 1.455 -0.059 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.487 ' HB3' HG23 ' B' ' 57' ' ' ILE . 79.0 p -161.11 165.08 30.17 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.758 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 13.6 m-85 -133.8 148.41 51.34 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 114.251 -1.341 . . . . 0.0 110.173 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 16.0 t -157.85 166.29 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.474 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.542 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.8 m -118.57 144.38 46.13 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 30.1 p80 -165.21 143.41 6.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.016 0.436 . . . . 0.0 112.049 -178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.1 148.9 42.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.821 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.529 HG23 ' H1 ' ' C' ' 1' ' ' MET . 77.1 p -59.13 153.94 17.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.455 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 10.9 mmpt? 65.21 39.16 5.58 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.616 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 78.3 m-70 -165.18 55.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.375 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.542 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 44.7 t80 -157.75 141.26 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.636 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 85' ' ' LEU . 11.4 tt -160.58 137.93 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.248 0.547 . . . . 0.0 112.046 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' C' ' 8' ' ' VAL . 47.0 t80 -142.33 132.77 25.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.187 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.527 ' CE2' HG22 ' A' ' 22' ' ' VAL . 1.4 p90 -165.39 138.4 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.042 0.449 . . . . 0.0 111.958 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.752 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 54.2 m-85 -77.33 143.49 38.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.302 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 6' ' ' ALA . 39.3 tp -170.36 143.44 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.02 40.81 91.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.454 ' O ' HG13 ' A' ' 81' ' ' VAL . 83.8 mt-30 56.21 33.54 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.641 0.258 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.6 m -159.95 132.15 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.752 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -74.55 130.15 39.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.37 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.517 ' N ' HD12 ' A' ' 83' ' ' ILE . 4.1 mp -106.45 140.79 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.775 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.927 HD23 HD13 ' A' ' 57' ' ' ILE . 55.0 tp -130.15 139.39 50.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.518 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD22 ' CG2' ' A' ' 42' ' ' ILE . 50.0 tp -159.9 136.47 9.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.542 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.7 p90 -176.26 129.28 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.236 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.73 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 18.1 ptpt -79.0 163.24 25.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.991 0.424 . . . . 0.0 111.487 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.889 ' O ' HG22 ' A' ' 53' ' ' THR . 47.2 t -143.66 132.03 22.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.497 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.842 0.353 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 t -59.56 133.91 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -178.77 139.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.457 ' CD ' HG12 ' B' ' 22' ' ' VAL . 2.3 tmm_? 64.75 52.78 1.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.474 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 49.0 mtmt -65.69 -119.59 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.194 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.929 ' HB2' HD12 ' B' ' 78' ' ' LEU . . . 67.27 128.26 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 111.701 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 19.1 m -101.53 138.08 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.416 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.691 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -85.73 149.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.279 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -140.94 -40.65 0.4 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.296 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -131.94 49.85 2.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 111.061 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.691 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -58.49 142.59 48.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.295 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -168.52 59.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.525 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.409 ' HG3' ' HB3' ' B' ' 18' ' ' GLN . 11.2 ptp -173.53 150.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.144 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 47.3 t -40.99 144.94 0.23 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.83 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.456 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 49.7 mt-10 -48.83 -47.19 42.7 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.087 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.463 ' OE2' ' HB2' ' B' ' 17' ' ' MET . 1.1 pp20? -64.86 -32.65 74.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.175 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.463 ' HB2' ' OE2' ' B' ' 16' ' ' GLU . 46.5 ttm -71.72 -48.53 46.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.904 0.383 . . . . 0.0 110.349 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.771 ' O ' HG23 ' B' ' 22' ' ' VAL . 17.2 pt20 -65.92 -40.5 91.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.499 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -66.14 -38.02 87.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.729 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.6 -38.09 77.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.471 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.505 ' OG ' HD23 ' B' ' 85' ' ' LEU . 43.9 t -68.38 -44.54 74.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.102 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 18' ' ' GLN . 53.1 t -65.95 -44.66 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.345 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.26 -42.48 83.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.086 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -64.51 -32.17 73.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.733 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.633 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.02 -40.16 78.81 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.241 0.543 . . . . 0.0 109.598 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.0 m -59.52 -46.1 89.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.221 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -58.87 -42.06 88.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.953 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.811 ' CB ' HG23 ' B' ' 38' ' ' ILE . . . -56.55 -40.92 75.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.005 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.818 HD23 HD11 ' B' ' 38' ' ' ILE . 50.2 mt -63.66 -49.24 73.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.931 0.396 . . . . 0.0 111.422 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -69.23 -30.63 68.82 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.315 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.79 -32.32 19.14 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.468 ' O ' ' CG ' ' B' ' 33' ' ' ASN . 3.7 m-85 -124.86 -37.09 2.49 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.539 ' O ' HD13 ' B' ' 34' ' ' ILE . 23.2 p30 53.12 44.84 29.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.067 0.46 . . . . 0.0 111.013 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.539 HD13 ' O ' ' B' ' 33' ' ' ASN . 45.1 mm -150.65 123.32 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.449 179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -49.93 -45.15 50.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.138 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.502 ' HB2' ' HB3' ' C' ' 7' ' ' GLN . 0.8 OUTLIER -67.66 -48.93 65.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.703 -179.165 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -64.77 -44.11 91.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.364 . . . . 0.0 111.41 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.818 HD11 HD23 ' B' ' 29' ' ' LEU . 68.2 mt -54.41 -54.53 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.909 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -62.1 -27.42 68.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.872 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.758 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -67.54 -61.16 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.502 ' CG ' ' N ' ' B' ' 42' ' ' ILE . 0.0 OUTLIER -60.24 -49.14 78.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.018 -178.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' B' ' 25' ' ' ALA . 67.8 mt -57.66 -38.06 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.043 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.428 ' CE ' ' HB3' ' A' ' 65' ' ' TYR . 24.6 ttpp -58.58 -49.85 75.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.012 0.434 . . . . 0.0 110.622 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -64.37 -44.24 92.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.882 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.0 mm-40 -54.74 -52.37 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.325 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.454 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 12.1 m-85 -72.49 -41.15 66.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.862 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.447 ' OD1' ' HG3' ' B' ' 52' ' ' PRO . 4.7 t70 -57.4 -37.08 72.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.786 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -88.82 -39.63 13.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.772 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' B' ' 50' ' ' TYR . 55.8 tptt -74.21 -69.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.508 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 9.7 m-30 -76.29 -6.62 52.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 94.07 142.29 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 C-N-CA 123.081 0.552 . . . . 0.0 110.697 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.447 ' HG3' ' OD1' ' B' ' 47' ' ' ASP . 16.6 Cg_exo -65.12 167.2 16.72 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.419 2.079 . . . . 0.0 112.622 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.508 HG23 ' O ' ' B' ' 53' ' ' THR . 13.9 t -118.54 115.7 25.12 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 122.916 0.486 . . . . 0.0 110.742 0.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.744 ' CG ' ' HB3' ' B' ' 87' ' ' LYS . 22.5 m95 -87.92 134.85 33.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.348 0.594 . . . . 0.0 112.464 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -105.0 128.77 53.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.824 ' C ' HD12 ' B' ' 57' ' ' ILE . 77.6 m -119.53 134.03 55.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.142 0.496 . . . . 0.0 111.547 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.824 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.9 mp -141.48 139.5 32.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.808 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 46.8 t -155.35 136.16 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 0.0 111.322 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.06 -138.55 3.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.839 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 6.7 ptp85 -169.03 33.06 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.513 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 29.0 t30 165.34 82.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.411 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.529 ' CE2' HG21 ' B' ' 57' ' ' ILE . 26.1 p90 -169.12 135.67 1.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -93.96 140.12 14.89 Favored Glycine 0 C--O 1.229 -0.211 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.642 ' OG ' HG23 ' A' ' 57' ' ' ILE . 49.8 m -147.57 151.56 36.48 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.401 ' C ' HG23 ' B' ' 66' ' ' VAL . 10.8 m-85 -137.04 134.66 36.8 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.17 -1.377 . . . . 0.0 109.103 178.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.551 HG12 ' N ' ' B' ' 67' ' ' THR . 24.9 t -157.7 165.15 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.386 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.265 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.551 ' N ' HG12 ' B' ' 66' ' ' VAL . 93.8 m -118.15 151.1 38.23 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -163.75 150.88 12.2 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -62.31 143.84 56.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.01 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 67.7 p -58.86 150.05 25.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.744 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.633 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 7.0 mmpt? 64.82 35.54 8.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.474 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.1 m80 -157.07 69.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.596 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 8.1 t80 -170.93 146.15 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.063 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.662 HD12 ' CB ' ' B' ' 18' ' ' GLN . 8.7 tt -166.48 130.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.364 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.69 ' CD2' HD13 ' B' ' 84' ' ' LEU . 2.6 t80 -118.71 137.49 53.3 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.688 ' HD2' ' HB1' ' B' ' 6' ' ' ALA . 3.2 p90 -167.23 137.0 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.013 0.435 . . . . 0.0 112.17 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.683 ' CE2' ' HB2' ' B' ' 82' ' ' ALA . 8.6 m-85 -86.06 148.98 25.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.709 178.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.929 HD12 ' HB2' ' B' ' 6' ' ' ALA . 4.6 tt -157.14 136.24 11.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.483 . . . . 0.0 111.608 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.772 ' N ' HD23 ' B' ' 78' ' ' LEU . . . 69.79 -82.66 0.3 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.483 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.459 ' O ' HG13 ' B' ' 81' ' ' VAL . 71.4 mt-30 -161.8 33.37 0.13 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.805 0.335 . . . . 0.0 110.347 178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.554 ' O ' HD12 ' B' ' 83' ' ' ILE . 30.6 m -159.37 134.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.214 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.683 ' HB2' ' CE2' ' B' ' 77' ' ' TYR . . . -70.68 127.39 32.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.578 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.554 HD12 ' O ' ' B' ' 81' ' ' VAL . 4.7 mp -108.22 140.48 26.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' B' ' 75' ' ' TYR . 58.3 tp -136.06 135.41 39.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.775 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.648 HD13 ' SG ' ' B' ' 56' ' ' CYS . 55.3 tp -146.64 135.52 22.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.345 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.497 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.3 p90 -176.7 130.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.075 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.744 ' HB3' ' CG ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -105.73 171.07 7.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.284 0.564 . . . . 0.0 112.429 -179.053 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 39.4 t -143.06 136.11 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.703 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.388 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.529 ' H1 ' HG23 ' A' ' 70' ' ' THR . 3.5 mpp? . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -158.37 136.39 10.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.961 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.583 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 2.2 p30 -76.06 120.57 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.9 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.4 t -74.78 152.42 39.03 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.391 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.65 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -155.06 125.85 1.76 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.784 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.844 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.3 pp -161.39 144.08 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.175 0.512 . . . . 0.0 112.259 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.502 ' HB3' ' HB2' ' B' ' 36' ' ' LYS . 17.1 pt20 -116.61 89.19 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.659 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' A' ' 75' ' ' TYR . 45.9 t -69.51 136.81 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.985 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.793 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.099 -0.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.425 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 27.1 mmm180 -57.01 136.51 56.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.307 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.18 42.91 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.243 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -82.15 54.61 2.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.968 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . 0.407 ' HB2' ' HA ' ' C' ' 17' ' ' HIS . 12.1 p-10 -169.9 41.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.747 0.308 . . . . 0.0 111.233 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.72 -48.15 51.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.244 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' C' ' 15' ' ' LYS . 2.6 mppt? -73.28 -35.92 66.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p -157.25 145.12 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.804 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . 0.407 ' HA ' ' HB2' ' C' ' 13' ' ' ASP . 43.3 m80 -49.66 135.02 19.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.323 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.96 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 120.787 0.327 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -72.02 128.63 36.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.602 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.538 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.0 t70 -82.43 115.63 21.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.332 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.489 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.7 t -79.99 142.76 34.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.588 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.672 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -144.87 125.76 2.46 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.88 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.813 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.3 pp -162.56 149.02 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 111.93 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.512 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 26.7 pt20 -132.69 127.61 35.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.816 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' B' ' 61' ' ' ASN . 51.4 t -114.98 142.98 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -157.98 37.69 0.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.939 0.399 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -72.2 -40.33 67.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 64.14 44.37 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.43 ' N ' ' HD3' ' B' ' 60' ' ' ARG . 87.1 mt -76.94 53.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' D' ' 16' ' ' SER . 57.4 m-20 -59.1 135.36 57.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.753 0.311 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.04 -52.63 10.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.68 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -76.49 -52.56 9.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.348 . . . . 0.0 111.245 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . 0.401 ' HB2' ' CB ' ' D' ' 13' ' ' ASP . 52.8 m -64.85 -42.51 94.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.035 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 63.68 123.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.642 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.3 tttm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.194 -0.908 . . . . 0.0 111.009 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.5 mtm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.79 0.329 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.1 p -61.77 134.33 56.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.715 ' HA ' HG21 ' A' ' 26' ' ' THR . 1.5 m-20 59.74 45.2 13.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.534 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -176.4 127.25 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.265 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.534 ' N ' ' HD3' ' A' ' 4' ' ' ARG . 55.6 tptt -172.55 -40.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.668 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -44.43 129.51 6.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.987 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -95.67 136.9 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.361 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.611 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -76.52 134.72 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.793 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -115.83 -34.61 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -156.24 51.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.853 0.358 . . . . 0.0 111.342 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . . . -58.8 141.29 53.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -157.69 74.82 0.76 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.317 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.49 ' HB3' ' HB2' ' A' ' 17' ' ' MET . 61.1 mtt -156.27 -166.87 2.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.93 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 16' ' ' GLU . 56.4 m -86.74 38.96 0.82 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.278 0.474 . . . . 0.0 112.278 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.3 mt-10 65.31 -59.67 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 14' ' ' SER . 24.6 pt-20 -59.22 -41.36 88.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.37 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' ' 13' ' ' MET . 63.3 mtt -60.51 -51.0 71.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.394 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.804 ' O ' HG23 ' A' ' 22' ' ' VAL . 16.1 pt20 -61.21 -37.47 83.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.807 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -61.63 -41.62 97.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -68.08 -37.37 81.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.515 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.1 m -68.16 -42.85 79.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.923 0.392 . . . . 0.0 110.201 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 18' ' ' GLN . 50.2 t -65.52 -45.68 91.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.594 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.71 -42.17 78.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.039 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -64.12 -34.41 77.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.731 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.598 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -68.59 -39.85 80.73 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 121.374 0.607 . . . . 0.0 109.753 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.715 HG21 ' HA ' ' A' ' 3' ' ' ASP . 89.5 m -58.65 -45.49 89.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.155 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -59.42 -42.44 91.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.726 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB1' HG13 ' A' ' 38' ' ' ILE . . . -51.9 -46.6 64.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.658 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 78' ' ' LEU . 66.2 mt -59.2 -52.75 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.25 0.548 . . . . 0.0 110.798 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.01 -31.36 72.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.93 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 98.2 mttt -78.9 -37.36 40.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.785 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 31' ' ' LYS . 42.4 m-85 -145.82 -53.86 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 42.5 t30 62.5 32.32 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.082 0.468 . . . . 0.0 110.058 -178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 34' ' ' ILE . 40.3 mm -101.02 25.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.708 ' N ' HD13 ' A' ' 38' ' ' ILE . 56.2 mt-10 55.76 -66.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.639 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' A' ' 34' ' ' ILE . 5.5 ttpm? -59.71 -54.2 49.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.325 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -55.19 -34.58 64.0 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.015 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.708 HD13 ' N ' ' A' ' 35' ' ' GLU . 2.0 mp -57.53 -59.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.618 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.56 68.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.071 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.802 ' HB2' ' CZ ' ' B' ' 65' ' ' TYR . . . -66.02 -62.73 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -64.43 -47.56 78.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.742 -178.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 25' ' ' ALA . 74.9 mt -55.73 -47.86 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 111.654 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.433 ' CE ' ' HB3' ' B' ' 65' ' ' TYR . 24.9 ttpp -59.08 -50.67 73.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.052 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -55.62 -44.44 77.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.719 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -57.84 -47.16 83.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.724 0.297 . . . . 0.0 111.218 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.5 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 36.3 m-85 -65.95 -43.37 88.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.2 m-20 -59.88 -42.66 94.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.772 0.32 . . . . 0.0 111.326 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -77.04 -41.15 43.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.939 -179.352 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.8 -64.88 1.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.537 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 2.9 m-85 -79.81 -17.9 52.22 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.528 -178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.7 m120 95.29 141.87 0.03 OUTLIER Pre-proline 0 N--CA 1.471 0.606 0 C-N-CA 122.853 0.461 . . . . 0.0 110.249 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 20.5 Cg_endo -60.55 169.39 5.47 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 C-N-CA 122.556 2.17 . . . . 0.0 112.899 -179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 88' ' ' SER . 13.0 t -117.37 112.73 21.11 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 111.289 0.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.682 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 21.5 m95 -88.38 134.35 33.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.471 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -109.24 131.96 54.57 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.73 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 47.9 t -137.35 147.29 45.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.314 0.578 . . . . 0.0 112.291 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.627 HG21 ' CE2' ' A' ' 62' ' ' PHE . 41.3 mt -152.13 145.3 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.803 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 83' ' ' ILE . 46.6 t -150.77 136.0 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.056 0.455 . . . . 0.0 111.474 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.18 -134.35 2.38 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.007 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.71 ' HA ' HG11 ' C' ' 8' ' ' VAL . 39.4 ptt180 -174.27 39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.634 0.254 . . . . 0.0 111.634 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 1.0 OUTLIER 170.35 79.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.267 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.627 ' CE2' HG21 ' A' ' 57' ' ' ILE . 4.7 p90 -173.49 130.97 0.45 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -94.15 137.21 13.41 Favored Glycine 0 C--O 1.228 -0.267 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.735 ' HB3' HG23 ' B' ' 57' ' ' ILE . 83.3 p -144.63 147.19 32.81 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 117.914 0.857 . . . . 0.0 113.253 -178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.475 ' CD2' ' HB2' ' B' ' 40' ' ' ALA . 3.6 t80 -127.67 133.83 49.62 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 114.233 -1.349 . . . . 0.0 108.609 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.636 HG11 ' CE1' ' A' ' 86' ' ' PHE . 24.9 t -155.87 168.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.622 0.249 . . . . 0.0 111.318 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.608 ' N ' HG12 ' A' ' 66' ' ' VAL . 96.1 m -118.54 146.47 44.54 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' CD2' ' HB ' ' C' ' 4' ' ' THR . 30.5 p80 -161.59 141.86 10.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.975 0.417 . . . . 0.0 111.944 -178.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.24 150.48 45.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.764 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.744 HG23 ' N ' ' C' ' 1' ' ' MET . 74.8 p -58.79 151.54 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.859 0.361 . . . . 0.0 111.437 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.668 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.88 38.29 9.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.517 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.497 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 84.4 m-70 -164.79 53.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.7 t80 -162.91 147.37 11.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.252 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.797 HD12 ' CB ' ' A' ' 18' ' ' GLN . 7.8 tt -164.98 141.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.625 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.549 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 43.0 t80 -137.59 131.7 32.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.144 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.0 p90 -160.56 141.05 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.987 0.423 . . . . 0.0 111.867 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 5.7 m-85 -77.58 149.72 34.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.184 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.705 ' HG ' HD11 ' A' ' 29' ' ' LEU . 38.7 tp -170.0 140.61 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.954 0.407 . . . . 0.0 111.536 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.6 41.63 74.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.443 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.446 ' O ' HG13 ' A' ' 81' ' ' VAL . 73.1 mt-30 57.31 35.99 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.806 0.336 . . . . 0.0 110.97 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 78' ' ' LEU . 27.1 m -159.18 133.42 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -72.94 129.9 39.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.34 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 58' ' ' VAL . 51.7 mt -112.32 139.01 39.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.576 HD21 ' HE2' ' A' ' 86' ' ' PHE . 51.7 tp -127.86 141.74 51.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.458 HD21 ' CE2' ' A' ' 46' ' ' PHE . 58.8 tp -157.73 138.32 12.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.152 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.636 ' CE1' HG11 ' A' ' 66' ' ' VAL . 11.1 p90 179.24 131.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.504 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -93.64 170.38 9.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.099 0.476 . . . . 0.0 111.78 -178.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.623 ' O ' HG22 ' A' ' 53' ' ' THR . 46.9 t -142.66 135.05 27.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.906 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.452 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.872 0.368 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 p -61.56 132.32 52.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -179.11 135.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.743 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.541 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 3.3 tmm_? 63.81 127.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.541 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.5 mmtt -149.26 -131.64 0.06 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.965 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 64.3 130.72 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 O-C-N 122.219 -0.3 . . . . 0.0 111.385 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' B' ' 77' ' ' TYR . 27.7 m -87.02 141.03 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.589 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.496 HG12 ' HB3' ' B' ' 76' ' ' PHE . 21.6 mt -109.96 134.11 53.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 111.631 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' B' ' 9' ' ' LYS . 7.1 mmpt? -110.91 -36.94 5.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.361 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 73.2 m-80 -132.36 143.71 50.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.48 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.55 140.17 22.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.952 0.406 . . . . 0.0 111.189 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -156.5 53.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 15.4 ptp -166.45 150.75 7.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.2 m -44.23 146.12 0.7 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.503 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.48 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 65.3 mm-40 -46.27 -42.33 14.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.581 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -63.04 -41.97 99.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.355 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.433 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 80.0 mtp -65.86 -47.8 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.015 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.707 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.6 pt20 -64.7 -38.27 90.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.437 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.3 pt20 -71.48 -39.5 70.85 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.418 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.423 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.7 t70 -64.44 -38.8 92.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -65.08 -44.07 90.1 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.92 0.391 . . . . 0.0 109.972 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 18' ' ' GLN . 51.2 t -65.41 -45.06 94.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.325 179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 19' ' ' GLN . 56.8 mt-10 -64.33 -45.27 88.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.555 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . 0.401 ' HB3' HG12 ' B' ' 42' ' ' ILE . 96.7 m -61.23 -36.69 80.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.883 ' CA ' HD11 ' B' ' 42' ' ' ILE . . . -69.39 -38.2 77.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.262 0.553 . . . . 0.0 109.848 179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.6 m -60.98 -44.42 97.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.465 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -60.33 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.369 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.52 ' HB3' HG12 ' B' ' 38' ' ' ILE . . . -55.12 -41.88 72.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.69 ' CD2' HD11 ' B' ' 38' ' ' ILE . 51.1 mt -63.63 -53.35 52.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.58 -28.62 67.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.472 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' B' ' 32' ' ' TYR . 99.3 mttt -87.67 -18.55 29.3 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.513 ' CE2' ' NE2' ' B' ' 41' ' ' HIS . 56.7 m-85 -146.5 -39.57 0.21 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' B' ' 32' ' ' TYR . 73.9 m-80 69.33 48.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.833 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.796 HD12 ' OD2' ' B' ' 37' ' ' ASP . 55.1 mt -141.76 125.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -53.76 -52.13 61.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.575 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -57.16 -55.09 39.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.123 0.487 . . . . 0.0 111.32 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.796 ' OD2' HD12 ' B' ' 34' ' ' ILE . 28.1 m-20 -50.47 -43.23 55.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.047 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.69 HD11 ' CD2' ' B' ' 29' ' ' LEU . 96.8 mt -50.67 -47.66 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.745 0.307 . . . . 0.0 111.538 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 65' ' ' TYR . . . -62.53 -38.79 91.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.768 -179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.475 ' HB2' ' CD2' ' A' ' 65' ' ' TYR . . . -65.17 -48.74 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.513 ' NE2' ' CE2' ' B' ' 32' ' ' TYR . 68.4 m-70 -64.0 -54.03 40.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.883 HD11 ' CA ' ' B' ' 25' ' ' ALA . 54.2 mt -59.03 -45.36 92.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.657 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.444 ' HD3' ' OD2' ' B' ' 47' ' ' ASP . 14.2 tmtt? -57.89 -53.56 56.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.052 -179.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -59.31 -47.91 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -54.13 -46.98 72.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.618 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 25.6 m-85 -64.97 -41.81 95.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.2 m-20 -56.53 -37.21 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.166 0.507 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.529 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.4 tmtp? -72.78 -41.38 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.434 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -84.58 -61.38 1.81 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.0 m-85 -84.63 -18.89 34.02 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 37.2 t30 92.36 135.99 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.536 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.442 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 9.8 Cg_endo -52.96 169.31 0.39 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.858 2.372 . . . . 0.0 113.112 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' B' ' 87' ' ' LYS . 12.9 t -114.11 126.84 55.54 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.291 0.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.678 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 25.4 m95 -101.76 130.73 48.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.246 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.485 ' O ' HD12 ' B' ' 85' ' ' LEU . 23.6 m-70 -111.03 141.67 44.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.448 -0.796 . . . . 0.0 108.889 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.783 ' C ' HD12 ' B' ' 57' ' ' ILE . 45.6 t -146.77 144.29 29.27 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.466 -178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.783 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.4 mp -134.76 156.03 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.907 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.501 HG13 HG12 ' B' ' 83' ' ' ILE . 59.5 t -156.87 133.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 110.985 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.39 -138.2 3.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -175.08 34.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.633 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.551 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 1.0 OUTLIER 168.53 79.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.375 179.548 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.694 ' CE2' HG21 ' B' ' 57' ' ' ILE . 5.0 p90 -173.3 133.67 0.51 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.92 0.39 . . . . 0.0 111.793 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -82.43 138.63 18.65 Favored Glycine 0 C--O 1.228 -0.265 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 47.7 t -140.64 144.91 35.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.202 1.001 . . . . 0.0 113.596 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.802 ' CZ ' ' HB2' ' A' ' 40' ' ' ALA . 12.4 m-85 -137.44 132.94 34.12 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.154 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.807 HG11 ' CE1' ' B' ' 86' ' ' PHE . 32.2 t -157.21 161.71 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 CA-C-O 120.716 0.293 . . . . 0.0 111.77 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.836 HG23 ' HG2' ' D' ' 2' ' ' LYS . 53.7 m -113.27 143.05 45.08 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' D' ' 2' ' ' LYS . 26.7 p80 -157.27 137.45 12.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.223 0.535 . . . . 0.0 112.137 -178.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -53.99 140.5 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.098 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -54.01 149.61 9.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.418 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 65.48 35.0 7.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.685 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.454 ' HB3' ' HG3' ' B' ' 87' ' ' LYS . 62.7 m80 -157.85 69.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.595 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.937 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 6.7 t80 -173.42 147.98 1.54 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.254 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.749 ' O ' HD12 ' B' ' 84' ' ' LEU . 7.9 tt -166.33 134.73 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.413 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.481 ' O ' HG23 ' B' ' 8' ' ' ILE . 5.1 t80 -120.61 137.11 54.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.73 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.637 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.7 p90 -168.47 134.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.854 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.528 ' HB2' HG22 ' B' ' 7' ' ' VAL . 69.0 m-85 -80.63 147.4 30.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.551 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.705 HD13 ' HB2' ' B' ' 6' ' ' ALA . 39.6 tp -165.45 141.42 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.241 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.39 41.71 81.03 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.391 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.44 ' O ' HG13 ' B' ' 81' ' ' VAL . 97.6 mm-40 56.12 36.11 26.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.789 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.476 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.5 m -158.61 131.86 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.823 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -69.73 142.8 53.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.387 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.501 HG12 HG13 ' B' ' 58' ' ' VAL . 58.1 mt -132.79 134.69 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.937 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 46.4 tp -136.02 142.25 44.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.589 HD21 ' CD2' ' B' ' 46' ' ' PHE . 63.4 tp -147.06 146.19 29.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.082 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.807 ' CE1' HG11 ' B' ' 66' ' ' VAL . 8.2 p90 -177.71 139.06 0.22 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.742 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.678 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -106.3 157.11 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.015 0.435 . . . . 0.0 111.612 -179.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 43.7 t -125.63 134.55 51.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.748 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.483 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.744 ' N ' HG23 ' A' ' 70' ' ' THR . 26.5 ptt? . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.829 0.347 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -158.04 150.48 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.485 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.6 p30 -73.37 129.97 39.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.684 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.477 ' HB ' ' CD2' ' A' ' 68' ' ' HIS . 10.6 t -84.05 135.06 34.57 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.448 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.652 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -129.35 120.52 3.22 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.734 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.776 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.0 pp -162.57 155.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.994 0.425 . . . . 0.0 111.639 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.467 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 25.6 pt20 -154.75 119.04 4.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.942 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.71 HG11 ' HA ' ' A' ' 60' ' ' ARG . 44.5 t -81.52 133.25 29.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.802 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.115 -0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.517 ' NE ' ' HA ' ' C' ' 10' ' ' ARG . 13.7 mmp_? -63.75 133.63 53.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.174 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -90.62 43.48 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.004 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.8 48.53 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.296 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . 0.402 ' HB3' ' HG2' ' C' ' 18' ' ' LYS . 12.3 p-10 -69.81 140.62 53.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.914 0.387 . . . . 0.0 111.15 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.14 -50.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.035 -0.603 . . . . 0.0 111.783 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' C' ' 16' ' ' SER . 60.3 mttp -86.91 52.36 2.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' C' ' 15' ' ' LYS . 35.0 t 70.32 -61.27 0.47 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.701 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -87.5 133.31 33.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.754 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . 0.402 ' HG2' ' HB3' ' C' ' 13' ' ' ASP . 95.4 mttt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.025 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.836 ' HG2' HG23 ' B' ' 67' ' ' THR . 0.0 OUTLIER -170.62 132.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.373 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.695 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 -164.25 111.53 1.09 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.443 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.515 HG22 ' HB ' ' B' ' 66' ' ' VAL . 15.0 t -70.52 146.57 50.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.288 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.579 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -146.78 126.47 2.46 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.105 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.903 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -160.11 142.59 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.175 0.512 . . . . 0.0 111.712 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.41 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 3.2 tm0? -113.95 90.34 3.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.111 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.474 HG23 HD13 ' D' ' 6' ' ' ILE . 59.6 t -69.58 141.38 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.9 t70 -171.81 54.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.091 0.472 . . . . 0.0 110.647 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.448 ' HD2' ' HB2' ' B' ' 60' ' ' ARG . 48.3 mmm-85 61.67 48.27 5.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -76.65 48.8 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.489 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.561 ' N ' HD22 ' D' ' 12' ' ' LEU . 3.1 mm? -83.03 52.06 2.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.714 0.292 . . . . 0.0 111.294 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' D' ' 15' ' ' LYS . 56.2 m-20 -158.03 143.06 16.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.783 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.14 64.05 0.15 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.839 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' D' ' 13' ' ' ASP . 14.5 mmmm 64.32 36.35 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' D' ' 17' ' ' HIS . 47.2 m -86.05 53.08 2.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.799 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' D' ' 16' ' ' SER . 20.2 m80 71.36 -49.59 0.68 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.566 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.825 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtm . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.849 0.357 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.9 m -60.39 133.85 56.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.765 ' HB2' HG21 ' A' ' 26' ' ' THR . 2.7 p30 -61.97 134.59 56.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.4 tpt85 -179.65 137.69 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.594 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -177.78 -38.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.058 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.813 ' HB3' HG13 ' A' ' 22' ' ' VAL . . . -51.93 128.01 22.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.709 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 27.8 m -90.25 138.79 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.573 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.637 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.8 mp -78.49 147.27 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.161 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 31.2 mmmt -132.36 -37.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.619 -179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -147.58 50.92 1.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 111.673 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.65 144.35 43.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.574 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -163.6 57.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.813 0.339 . . . . 0.0 111.577 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 ptp -167.97 -174.75 2.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.403 ' HB2' ' HG3' ' A' ' 17' ' ' MET . 58.2 m -58.25 143.61 43.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.3 pt-20 -53.45 -46.04 69.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.369 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.4 -42.63 99.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.438 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 66.2 mtt -60.2 -50.31 74.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.799 0.333 . . . . 0.0 111.265 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.842 ' O ' HG23 ' A' ' 22' ' ' VAL . 15.8 pt20 -63.18 -39.86 95.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 96.6 mm-40 -66.63 -41.45 88.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.549 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.78 -36.38 82.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.568 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.5 t -67.95 -42.6 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.1 t -63.54 -47.69 90.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.58 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.02 -43.64 78.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.952 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.4 t -63.73 -33.52 75.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.455 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.699 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.24 -39.24 78.61 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 109.707 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.765 HG21 ' HB2' ' A' ' 3' ' ' ASP . 89.7 m -57.67 -48.51 79.3 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.098 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -61.14 -36.28 79.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.566 178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -57.1 -39.2 74.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.013 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.952 HD23 HD11 ' A' ' 38' ' ' ILE . 58.8 mt -70.07 -45.73 66.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.976 0.417 . . . . 0.0 110.68 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -68.86 -33.55 73.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.295 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -90.31 -37.12 14.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.255 0.55 . . . . 0.0 110.491 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' C ' ' H ' ' A' ' 34' ' ' ILE . 6.2 m-85 -135.78 85.33 2.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.974 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -67.65 24.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.495 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.65 HD12 ' OD2' ' A' ' 37' ' ' ASP . 60.9 mt -114.61 131.58 66.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.34 -51.98 49.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.659 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HZ2' ' HB3' ' A' ' 36' ' ' LYS . 3.7 ttpm? -59.46 -56.33 23.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.124 -179.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.65 ' OD2' HD12 ' A' ' 34' ' ' ILE . 56.5 m-20 -51.06 -43.19 60.93 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.952 HD11 HD23 ' A' ' 29' ' ' LEU . 65.8 mt -49.1 -53.5 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.091 0.472 . . . . 0.0 111.061 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -65.89 -28.11 68.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.941 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.77 -60.68 2.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.504 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -63.1 -47.13 84.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.556 -178.797 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 25' ' ' ALA . 82.2 mt -57.84 -46.1 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.741 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 43' ' ' LYS . 0.4 OUTLIER -58.87 -51.09 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.647 -179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' N ' ' HE2' ' A' ' 43' ' ' LYS . 68.0 mttm -54.23 -44.38 71.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.643 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 53.0 mm-40 -57.16 -50.72 71.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.682 0.277 . . . . 0.0 110.908 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.544 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 44.8 m-85 -66.36 -43.99 84.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 111.467 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 60.7 t0 -54.11 -41.98 68.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.975 0.417 . . . . 0.0 110.911 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -76.72 -42.63 40.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.952 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 66.7 mttm -79.01 -70.06 0.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.562 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 7.0 m-30 -73.26 -14.57 61.35 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.562 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 5.1 m120 92.74 146.36 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 C-N-CA 122.959 0.503 . . . . 0.0 110.548 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.443 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 37.0 Cg_endo -67.71 170.18 14.48 Favored 'Trans proline' 0 CA--C 1.532 0.415 0 C-N-CA 122.33 2.02 . . . . 0.0 112.909 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -114.2 126.02 54.59 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 122.626 0.37 . . . . 0.0 110.873 -0.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.544 ' CE2' ' HB3' ' A' ' 46' ' ' PHE . 24.3 m95 -99.08 135.22 40.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.313 0.578 . . . . 0.0 112.449 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 24.2 m-70 -115.03 134.08 55.49 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.818 ' C ' HD12 ' A' ' 57' ' ' ILE . 49.9 t -137.54 140.74 41.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 112.428 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.818 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.2 mp -132.66 151.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.959 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.0 t -155.02 134.28 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.256 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.27 -134.52 2.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.146 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.0 ptt85 -178.53 38.01 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.668 0.271 . . . . 0.0 111.438 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 165.07 81.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.129 179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.733 ' CE2' HG21 ' A' ' 57' ' ' ILE . 4.0 p90 -170.8 136.85 1.21 Allowed 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.18 143.3 16.5 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.787 ' OG ' HG23 ' B' ' 57' ' ' ILE . 44.9 m -159.09 149.63 19.6 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' C' ' 3' ' ' ASP . 4.2 t80 -125.99 135.55 51.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.507 -1.224 . . . . 0.0 108.543 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.533 HG11 ' CE2' ' A' ' 86' ' ' PHE . 20.4 t -154.42 164.16 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.586 0.232 . . . . 0.0 111.514 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.517 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.2 m -117.27 153.67 32.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 25.9 p80 -163.86 142.69 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.196 0.522 . . . . 0.0 112.077 -178.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.82 144.89 42.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.96 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.494 HG23 ' H2 ' ' C' ' 1' ' ' MET . 62.0 p -55.39 150.51 11.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.237 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 11.0 mmpt? 62.38 38.58 12.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.21 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.442 ' CE1' ' HD3' ' A' ' 87' ' ' LYS . 90.9 m-70 -158.51 56.77 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.622 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.642 ' HE1' HD11 ' A' ' 84' ' ' LEU . 32.9 t80 -155.69 140.55 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.994 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.646 HD12 ' CB ' ' A' ' 18' ' ' GLN . 11.8 tt -165.27 141.74 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.306 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.634 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 3.7 t80 -139.84 136.11 33.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.872 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.0 p90 -164.67 139.17 5.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.142 0.496 . . . . 0.0 112.17 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.8 m-85 -79.43 153.23 29.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.706 HD13 ' HB2' ' A' ' 6' ' ' ALA . 33.5 tp -158.68 131.6 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.008 0.433 . . . . 0.0 112.019 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.95 -65.57 0.19 Allowed Glycine 0 C--N 1.333 0.392 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.02 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' HB2' HD21 ' C' ' 12' ' ' LEU . 19.0 pt20 178.95 37.23 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.943 0.402 . . . . 0.0 110.028 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.3 m -158.91 137.52 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.986 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.634 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.9 137.89 52.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.015 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.427 HD12 ' HE1' ' A' ' 76' ' ' PHE . 57.7 mt -121.2 132.26 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD11 ' HE1' ' A' ' 73' ' ' PHE . 59.0 tp -128.63 139.83 52.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.6 tp -152.39 139.19 18.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.699 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.533 ' CE2' HG11 ' A' ' 66' ' ' VAL . 16.5 p90 -172.53 133.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.325 -179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 21.0 ptmt -102.59 151.47 22.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.937 0.399 . . . . 0.0 111.048 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.1 t -126.01 130.84 51.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.751 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.409 -1.217 . . . . 0.0 112.465 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' B' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.748 0.308 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.3 p -60.29 133.98 56.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.53 139.53 57.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 1.3 mpp_? 63.32 125.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.949 -179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -72.89 -31.88 64.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.322 0.582 . . . . 0.0 110.035 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.705 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -55.07 134.46 49.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.178 -179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.453 HG23 ' HE2' ' B' ' 9' ' ' LYS . 23.9 m -105.63 138.18 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.282 179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.626 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.6 mp -81.46 145.05 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.842 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.453 ' HE2' HG23 ' B' ' 7' ' ' VAL . 75.0 mmtt -131.26 -35.48 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.714 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -144.81 54.24 1.23 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.893 0.378 . . . . 0.0 111.472 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.57 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -56.69 144.85 30.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -167.23 59.38 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.374 . . . . 0.0 111.139 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.42 ' CE ' ' HB3' ' B' ' 17' ' ' MET . 50.2 ttp -175.19 163.52 3.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.711 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.5 m -43.05 138.13 2.21 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.645 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.485 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.0 mt-10 -50.65 -43.98 57.36 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.622 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.348 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.42 ' HB3' ' CE ' ' B' ' 13' ' ' MET . 65.1 mtt -66.41 -45.37 80.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.707 0.289 . . . . 0.0 111.259 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.892 ' O ' HG23 ' B' ' 22' ' ' VAL . 17.1 pt20 -66.43 -36.98 84.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.404 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.477 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.1 pt20 -71.69 -40.88 69.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.795 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' B' ' 24' ' ' CYS . 1.0 OUTLIER -68.61 -37.06 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.858 179.53 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.6 t -66.63 -40.91 88.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.88 0.372 . . . . 0.0 110.339 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 18' ' ' GLN . 64.0 t -65.2 -49.86 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.689 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.3 -41.15 90.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.864 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' B' ' 20' ' ' ASP . 44.9 t -60.94 -32.88 72.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.545 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.748 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -70.37 -40.86 73.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.198 0.523 . . . . 0.0 109.955 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.515 ' OG1' HD21 ' B' ' 78' ' ' LEU . 90.2 m -59.95 -44.62 94.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.179 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -59.63 -42.44 92.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.89 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.524 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -54.09 -47.23 71.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.169 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.827 ' CD2' HD11 ' B' ' 38' ' ' ILE . 61.0 mt -60.82 -44.58 96.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -63.86 -33.76 76.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.736 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 7.3 ptpp? -85.8 -38.86 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.436 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 48.1 m-85 -119.9 -43.91 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.608 ' O ' HD13 ' B' ' 34' ' ' ILE . 0.8 OUTLIER 64.66 45.02 3.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.959 0.409 . . . . 0.0 110.174 -179.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.608 HD13 ' O ' ' B' ' 33' ' ' ASN . 44.8 mm -147.1 116.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.624 ' HA ' HD12 ' B' ' 38' ' ' ILE . 0.8 OUTLIER -42.98 -41.11 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.099 -179.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -62.09 -56.41 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.905 0.383 . . . . 0.0 111.337 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -60.68 -40.92 93.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.001 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.827 HD11 ' CD2' ' B' ' 29' ' ' LEU . 90.2 mt -48.18 -59.24 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.935 0.398 . . . . 0.0 111.574 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.695 ' HB1' ' HB2' ' B' ' 56' ' ' CYS . . . -65.06 -23.07 67.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.15 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.415 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -66.51 -63.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.531 ' HA ' ' HD3' ' B' ' 44' ' ' LYS . 0.1 OUTLIER -67.43 -42.62 82.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.747 -178.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.748 HD11 ' HA ' ' B' ' 25' ' ' ALA . 82.9 mt -59.73 -47.32 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.653 0.263 . . . . 0.0 111.503 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.458 ' HE2' ' CE1' ' A' ' 65' ' ' TYR . 0.1 OUTLIER -62.57 -52.02 65.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.868 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' B' ' 41' ' ' HIS . 20.9 ptmt -58.44 -40.18 81.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -58.69 -52.49 65.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.779 0.323 . . . . 0.0 110.605 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.577 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 47.8 m-85 -65.13 -45.58 84.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 0.0 110.788 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.449 ' OD2' ' HB3' ' B' ' 52' ' ' PRO . 9.6 t0 -51.04 -39.45 55.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -80.8 -42.85 21.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.0 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -75.09 -58.02 3.54 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.9 m-85 -85.85 -12.62 50.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.277 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 91.81 143.61 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.414 0 C-N-CA 122.838 0.455 . . . . 0.0 110.336 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.449 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 20.8 Cg_endo -60.99 168.49 7.26 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.44 2.093 . . . . 0.0 112.696 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.466 HG23 ' CE1' ' B' ' 55' ' ' HIS . 12.5 t -117.17 125.96 52.03 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 122.925 0.49 . . . . 0.0 110.961 0.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.792 ' CZ3' HD21 ' B' ' 85' ' ' LEU . 25.7 m95 -97.83 148.83 23.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.013 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.466 ' CE1' HG23 ' B' ' 53' ' ' THR . 11.7 m-70 -134.0 138.51 45.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.171 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.814 ' C ' HD12 ' B' ' 57' ' ' ILE . 83.3 m -143.87 144.46 31.76 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.814 HD12 ' C ' ' B' ' 56' ' ' CYS . 2.3 mp -132.33 144.32 37.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.47 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' B' ' 35' ' ' GLU . 49.0 t -154.19 136.59 6.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.907 0.384 . . . . 0.0 111.645 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.09 -138.07 4.14 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.418 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 85.8 mtm180 -159.42 27.53 0.2 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.64 0.257 . . . . 0.0 111.326 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 10.1 t-20 175.73 77.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.451 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' B' ' 62' ' ' PHE . 11.4 p90 -156.36 138.98 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.455 0.645 . . . . 0.0 112.213 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -120.38 136.23 11.4 Favored Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.628 ' HB3' HG23 ' A' ' 57' ' ' ILE . 79.6 p -156.6 156.65 33.92 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.1 t80 -125.53 133.21 52.43 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 113.8 -1.545 . . . . 0.0 107.778 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.546 ' HB ' HG22 ' D' ' 4' ' ' THR . 14.0 t -153.24 163.47 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.723 -177.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.493 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.4 m -115.94 154.3 30.04 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 23.4 p80 -164.77 143.13 6.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.036 0.446 . . . . 0.0 111.685 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -54.5 141.94 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.945 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 68.1 p -53.75 151.41 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.341 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 62.85 39.46 10.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.529 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -159.3 69.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.588 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.623 ' HE1' HD11 ' B' ' 84' ' ' LEU . 29.3 t80 -163.82 143.75 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.072 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.41 ' O ' HD12 ' B' ' 84' ' ' LEU . 10.5 tt -163.87 142.25 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.632 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -141.62 135.55 30.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.434 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.631 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.0 p90 -168.64 143.05 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.068 0.461 . . . . 0.0 111.765 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 4.5 m-85 -82.82 152.11 25.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.351 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.705 HD13 ' HB2' ' B' ' 6' ' ' ALA . 39.4 tp -170.12 140.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.953 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.01 38.43 60.57 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 58.42 39.16 25.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.809 0.338 . . . . 0.0 111.197 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.626 HG22 ' O ' ' B' ' 78' ' ' LEU . 31.6 m -156.4 133.85 2.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.944 0.402 . . . . 0.0 111.081 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.505 ' CB ' HG21 ' D' ' 8' ' ' VAL . . . -69.97 134.23 48.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 58.2 mt -120.37 142.18 37.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.623 HD11 ' HE1' ' B' ' 73' ' ' PHE . 58.0 tp -138.67 142.62 39.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.792 HD21 ' CZ3' ' B' ' 54' ' ' TRP . 6.4 tt -158.27 145.2 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.545 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 9.3 p90 179.89 136.87 0.11 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.8 ptmt -101.95 170.23 8.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 0.0 111.353 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 42.3 t -147.87 132.22 17.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.777 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.48 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.494 ' H2 ' HG23 ' A' ' 70' ' ' THR . 81.8 mtp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.893 0.378 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' C' ' 2' ' ' LYS . 8.5 mtpm? -155.54 130.81 9.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.652 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.495 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.1 p30 -81.89 123.09 28.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.149 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.47 HG22 ' HB ' ' A' ' 66' ' ' VAL . 10.9 t -88.75 144.1 26.47 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.927 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.12 135.56 7.57 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.635 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -151.21 170.07 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.078 0.466 . . . . 0.0 111.45 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.553 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.3 pt20 -162.62 69.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 61.1 t -69.8 143.25 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.023 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.797 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.139 -0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -69.85 137.01 51.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -75.53 53.16 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.186 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 80' ' ' GLN . 35.7 tp -82.91 47.05 1.16 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.807 0.337 . . . . 0.0 111.211 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -157.68 126.95 5.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.759 0.314 . . . . 0.0 110.541 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . 0.452 ' O ' ' CE1' ' C' ' 17' ' ' HIS . . . -76.88 -51.75 6.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.644 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' C' ' 16' ' ' SER . 35.3 mtmm -72.1 138.87 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 111.27 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' C' ' 15' ' ' LYS . 36.8 m 74.46 -41.32 0.47 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . 0.452 ' CE1' ' O ' ' C' ' 14' ' ' GLY . 25.0 m80 66.59 128.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.737 0.304 . . . . 0.0 110.561 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.928 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.751 0.31 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' B' ' 68' ' ' HIS . 75.0 mmtt -73.17 133.9 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.5 ' HB2' ' CE1' ' B' ' 65' ' ' TYR . 11.9 p-10 -82.22 116.25 21.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.731 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.546 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.9 t -85.39 146.68 26.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.044 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.651 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -148.85 128.41 2.78 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.372 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.808 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.2 pp -161.47 145.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.423 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.617 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 23.0 pt20 -137.56 85.39 2.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.985 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' B' ' 82' ' ' ALA . 55.2 t -69.87 141.24 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.178 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -157.49 45.53 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 0.0 110.853 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 57.11 42.01 26.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.045 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -86.87 38.71 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.41 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.408 HD12 ' C ' ' D' ' 12' ' ' LEU . 0.8 OUTLIER -93.2 41.84 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.408 . . . . 0.0 110.63 179.368 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -179.88 138.2 0.12 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.598 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' D' ' 15' ' ' LYS . . . -82.37 29.12 3.25 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.493 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.493 ' O ' ' CD2' ' D' ' 17' ' ' HIS . 25.9 ttpp 173.58 136.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -64.32 127.54 31.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.805 0.336 . . . . 0.0 111.048 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' D' ' 15' ' ' LYS . 0.3 OUTLIER -178.99 -34.26 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.858 179.279 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . 0.405 ' NZ ' HD13 ' D' ' 12' ' ' LEU . 39.9 ttmt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 2' ' ' CYS . 26.1 ptm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.684 0.278 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 1' ' ' MET . 83.2 m -76.21 53.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.416 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -64.43 137.14 57.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 0.8 OUTLIER -60.67 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 179.764 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.1 tptt 179.85 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.901 0.381 . . . . 0.0 110.948 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -43.87 127.55 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.058 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 26.4 m -100.21 136.26 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 121.029 0.442 . . . . 0.0 111.307 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -97.76 142.85 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.85 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 14.8 ptmm? -148.03 23.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.819 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.561 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 47.0 m-80 -171.47 44.33 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.981 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.483 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -63.7 136.91 57.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -158.71 54.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.1 ttp -172.57 164.56 5.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.396 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' A' ' 17' ' ' MET . 64.4 m -42.01 137.74 1.75 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 111.422 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 94.6 mt-10 -51.06 -48.63 61.53 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.745 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -61.52 -42.86 99.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.309 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.415 ' HG3' ' HB2' ' A' ' 14' ' ' SER . 89.4 mtp -62.83 -48.19 80.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.183 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.813 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.3 pt20 -65.58 -37.73 87.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.857 0.36 . . . . 0.0 110.533 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -64.97 -40.45 95.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.68 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.54 -37.73 83.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.651 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.2 p -67.11 -42.61 84.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.878 0.37 . . . . 0.0 110.095 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 18' ' ' GLN . 47.3 t -65.23 -48.08 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.427 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.82 -41.27 87.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.181 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.87 -31.86 73.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.81 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.95 -41.25 74.79 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.218 0.532 . . . . 0.0 109.956 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.0 m -60.0 -44.5 94.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.301 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.59 -41.01 93.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.045 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.55 -46.23 77.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.316 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.829 ' CD2' HD11 ' A' ' 38' ' ' ILE . 61.7 mt -62.18 -46.12 90.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.522 . . . . 0.0 111.064 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.15 -33.87 76.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.651 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HE3' ' CE2' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -86.42 -38.17 17.62 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.115 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HE3' ' A' ' 31' ' ' LYS . 40.0 m-85 -119.54 -47.23 2.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 65.08 46.81 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.911 0.386 . . . . 0.0 110.418 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.524 ' O ' HG13 ' A' ' 38' ' ' ILE . 55.6 mt -149.55 134.6 10.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.8 mt-10 -44.93 -59.84 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.936 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' D' ' 7' ' ' GLN . 35.7 ttpt -55.09 -57.49 11.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.225 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.455 ' OD2' HD12 ' A' ' 34' ' ' ILE . 57.4 m-20 -51.23 -44.52 61.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.829 HD11 ' CD2' ' A' ' 29' ' ' LEU . 87.0 mt -51.35 -57.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.04 0.447 . . . . 0.0 111.1 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -67.7 -21.33 65.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.03 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.881 ' HB2' ' CE2' ' B' ' 65' ' ' TYR . . . -67.6 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.52 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -69.91 -41.73 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.511 -178.681 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 25' ' ' ALA . 76.6 mt -61.22 -47.88 91.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.509 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' B' ' 65' ' ' TYR . 35.2 ttpt -61.21 -52.72 63.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.714 0.292 . . . . 0.0 110.873 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -57.12 -42.84 81.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.536 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -56.28 -49.34 74.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.259 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.505 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.2 m-85 -65.25 -42.98 92.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.695 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 63.4 m-20 -56.4 -36.18 68.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 0.0 111.348 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -82.7 -39.87 21.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.85 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -59.27 2.85 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.538 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 5.6 m-85 -87.52 -17.67 31.54 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.7 m120 96.63 144.54 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.541 0 C-N-CA 122.952 0.501 . . . . 0.0 110.331 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 27.4 Cg_exo -62.46 167.13 11.88 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.481 2.121 . . . . 0.0 112.968 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.421 HG23 ' CE1' ' A' ' 55' ' ' HIS . 14.8 t -116.25 126.46 53.61 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 0.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 27.9 m95 -99.81 134.78 42.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.332 0.587 . . . . 0.0 111.997 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 19.7 m-70 -112.16 133.6 54.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.98 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.823 ' C ' HD12 ' A' ' 57' ' ' ILE . 50.0 t -136.48 141.8 43.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.301 0.572 . . . . 0.0 112.233 -178.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.5 mp -134.68 149.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.126 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG11 HD12 ' A' ' 38' ' ' ILE . 48.6 t -155.47 134.98 3.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-O 121.061 0.457 . . . . 0.0 111.413 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' HA2' ' OE1' ' A' ' 35' ' ' GLU . . . 173.16 -136.18 3.59 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.216 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 39.0 ptt85 -179.34 40.6 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.417 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 169.11 74.26 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.233 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CZ ' HG21 ' C' ' 8' ' ' VAL . 32.4 p90 -171.54 136.44 0.98 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.994 0.426 . . . . 0.0 111.903 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.75 126.71 7.69 Favored Glycine 0 N--CA 1.451 -0.333 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.1 m -114.02 144.32 43.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 8.3 t80 -151.57 122.46 7.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.586 HG12 ' N ' ' A' ' 67' ' ' THR . 46.8 t -157.0 165.04 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -177.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.586 ' N ' HG12 ' A' ' 66' ' ' VAL . 87.2 m -112.45 149.36 32.7 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' C' ' 2' ' ' LYS . 26.4 p80 -161.51 146.84 13.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.264 0.554 . . . . 0.0 112.307 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -59.38 141.77 53.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.98 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 78.0 p -55.1 151.96 8.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.444 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.669 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 63.76 39.1 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.28 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.454 ' CG ' ' O ' ' A' ' 71' ' ' LYS . 92.2 m-70 -160.62 62.14 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.81 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.71 ' HE1' HD11 ' A' ' 84' ' ' LEU . 34.3 t80 -157.23 140.95 15.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 111.298 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.75 HD12 ' HB2' ' A' ' 18' ' ' GLN . 9.2 tt -164.44 139.28 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.595 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.642 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 53.4 t80 -136.13 136.55 40.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.604 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 9.2 p90 -165.27 139.85 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 111.785 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 57.6 m-85 -75.28 148.68 39.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.77 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.729 HD13 ' HB2' ' A' ' 6' ' ' ALA . 33.5 tp -170.43 139.68 1.7 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.902 0.382 . . . . 0.0 111.531 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.432 ' HA3' HD13 ' A' ' 29' ' ' LEU . . . 55.99 42.74 87.44 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.508 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER 54.11 35.21 21.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.978 0.418 . . . . 0.0 110.686 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 78' ' ' LEU . 26.7 m -158.28 134.91 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.605 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.642 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -70.78 131.59 44.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.397 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.455 HD12 ' HB3' ' A' ' 78' ' ' LEU . 54.8 mt -116.44 134.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.484 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.71 HD11 ' HE1' ' A' ' 73' ' ' PHE . 54.7 tp -129.13 143.42 50.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.4 tp -153.65 144.44 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.527 ' CE1' HG11 ' A' ' 66' ' ' VAL . 10.5 p90 178.61 133.69 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 13.5 ptmm? -98.35 170.34 8.93 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.063 0.458 . . . . 0.0 111.764 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.6 m -146.7 132.36 18.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.701 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.472 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.407 ' HG3' ' N ' ' B' ' 2' ' ' CYS . 22.5 ptp . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.734 0.302 . . . . 0.0 111.326 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . 0.407 ' N ' ' HG3' ' B' ' 1' ' ' MET . 53.8 t -59.22 133.51 56.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.408 ' O ' ' HD2' ' B' ' 4' ' ' ARG . 2.9 p30 -178.77 138.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.805 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.485 ' C ' ' HD2' ' B' ' 4' ' ' ARG . 5.8 ppt_? 43.78 -162.1 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.462 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.475 ' HB3' ' NZ ' ' B' ' 5' ' ' LYS . 4.2 mmmp? -158.06 -129.43 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.751 ' HB3' HG13 ' B' ' 22' ' ' VAL . . . 64.3 133.55 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 120.821 0.343 . . . . 0.0 111.494 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.48 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 20.6 m -95.3 136.24 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.417 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.616 ' CG2' ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -80.63 132.04 32.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.75 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -109.44 -34.15 6.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.053 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -156.24 54.29 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.217 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.616 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -57.01 143.12 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.273 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -175.16 62.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.723 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.786 ' O ' ' HB2' ' B' ' 17' ' ' MET . 52.8 ttp -171.2 56.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.544 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 38.3 t 61.26 135.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 111.461 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 56.1 mt-10 -56.7 -51.34 69.19 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.897 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.77 -43.01 99.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 0.0 110.951 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.786 ' HB2' ' O ' ' B' ' 13' ' ' MET . 87.8 mtp -65.0 -50.63 65.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.702 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.0 pt20 -64.58 -37.08 86.31 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.545 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.38 -39.97 92.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.802 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.401 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.2 t70 -64.64 -39.61 94.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.433 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -65.39 -41.67 93.46 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.751 HG13 ' HB3' ' B' ' 6' ' ' ALA . 64.6 t -64.39 -47.12 90.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.28 179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.77 -47.22 81.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.311 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . 0.435 ' O ' HD11 ' B' ' 42' ' ' ILE . 86.8 m -62.22 -28.37 69.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.09 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -71.77 -42.43 67.16 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 109.941 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -59.88 -46.64 88.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.321 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -59.88 -46.75 88.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.969 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.775 ' CB ' HG23 ' B' ' 38' ' ' ILE . . . -54.24 -34.71 61.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.201 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.879 HD23 HD11 ' B' ' 38' ' ' ILE . 61.0 mt -68.31 -52.95 27.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.157 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.518 ' HG3' ' CD ' ' B' ' 31' ' ' LYS . 12.3 pt-20 -70.64 -26.28 63.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.728 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.518 ' CD ' ' HG3' ' B' ' 30' ' ' GLU . 0.4 OUTLIER -85.16 -37.67 19.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.767 179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' B' ' 32' ' ' TYR . 2.5 m-85 -121.11 -47.23 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 111.669 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' B' ' 33' ' ' ASN . 22.1 t-20 65.57 45.88 2.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.13 0.491 . . . . 0.0 110.205 -179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.564 HD12 ' OD2' ' B' ' 37' ' ' ASP . 57.0 mt -152.29 122.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.503 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 58' ' ' VAL . 22.0 pt-20 -47.11 -48.25 23.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.127 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.52 -56.66 15.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.169 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.564 ' OD2' HD12 ' B' ' 34' ' ' ILE . 57.3 m-20 -57.06 -47.72 80.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.879 HD11 HD23 ' B' ' 29' ' ' LEU . 89.0 mt -47.85 -52.81 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.931 0.396 . . . . 0.0 111.721 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.75 -25.09 68.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.97 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -70.11 -58.88 3.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.556 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -65.59 -46.52 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.504 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' B' ' 25' ' ' ALA . 66.8 mt -61.67 -42.58 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.324 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.525 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 81.7 tttt -59.86 -51.85 67.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.574 0.226 . . . . 0.0 111.591 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -56.68 -44.54 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.04 -46.57 87.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 111.474 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.3 m-85 -66.68 -40.78 88.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.543 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.421 ' OD2' ' HG2' ' B' ' 43' ' ' LYS . 57.8 m-20 -57.27 -43.53 83.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 0.0 110.867 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.8 77.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.514 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -79.44 -70.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' B' ' 51' ' ' ASN . 7.3 m-30 -73.84 -14.39 61.08 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.579 ' HB3' ' O ' ' B' ' 50' ' ' TYR . 23.8 t-20 93.11 140.31 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.538 0 C-N-CA 122.78 0.432 . . . . 0.0 110.752 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.98 169.28 12.14 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.437 2.091 . . . . 0.0 112.631 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.46 HG23 ' CE1' ' B' ' 55' ' ' HIS . 11.9 t -116.55 127.52 54.59 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 122.931 0.492 . . . . 0.0 110.771 0.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.595 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 27.0 m95 -94.75 126.41 40.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.274 0.559 . . . . 0.0 112.356 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.522 ' O ' HD12 ' B' ' 85' ' ' LEU . 26.7 m-70 -98.83 141.65 31.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.024 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.2 t -148.29 148.6 30.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 112.806 -178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 58.4 mt -151.39 142.62 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.395 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.412 ' O ' ' HB2' ' B' ' 35' ' ' GLU . 45.0 t -150.01 142.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.071 0.463 . . . . 0.0 111.607 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 175.91 -127.63 1.28 Allowed Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.846 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.4 ptt180 -174.82 38.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.771 -0.253 . . . . 0.0 111.388 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.563 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 164.35 82.51 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.847 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.518 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 15.2 p90 -164.66 133.89 3.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.243 0.544 . . . . 0.0 111.913 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -109.35 136.33 13.49 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.539 ' HB3' HG23 ' A' ' 57' ' ' ILE . 80.5 p -161.76 159.44 27.14 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.881 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 25.7 m-85 -126.97 142.04 51.65 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 114.046 -1.433 . . . . 0.0 109.443 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' B' ' 86' ' ' PHE . 24.9 t -155.56 166.42 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.756 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.561 ' N ' HG12 ' B' ' 66' ' ' VAL . 90.4 m -112.97 152.4 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.6 p80 -161.44 140.31 9.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.139 0.495 . . . . 0.0 111.661 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.408 ' HB3' ' ND1' ' B' ' 72' ' ' HIS . 17.7 tp10 -56.43 160.45 3.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.292 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.451 HG23 ' N ' ' D' ' 1' ' ' MET . 74.0 p -55.47 141.91 34.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.907 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.519 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 60.81 21.97 12.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.623 179.47 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 52.1 m170 -124.65 69.79 1.11 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.713 0.292 . . . . 0.0 110.38 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.572 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 19.7 t80 -159.88 138.08 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.207 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' B' ' 18' ' ' GLN . 8.6 tt -160.59 141.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.179 0.514 . . . . 0.0 111.706 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.62 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 4.4 t80 -145.63 136.96 24.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.313 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.632 ' HE1' HD12 ' B' ' 83' ' ' ILE . 7.9 p90 -163.93 140.59 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.053 0.454 . . . . 0.0 111.879 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 14.2 m-85 -81.11 144.52 31.63 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.736 HD22 ' HB2' ' B' ' 6' ' ' ALA . 43.8 tp -170.4 142.09 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 111.598 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.0 40.89 75.3 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.573 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.454 ' HB3' HD11 ' D' ' 12' ' ' LEU . 73.3 mt-30 54.63 37.47 28.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 78' ' ' LEU . 28.5 m -157.88 132.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.62 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -72.13 135.06 46.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.189 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.632 HD12 ' HE1' ' B' ' 76' ' ' PHE . 55.4 mt -118.77 141.3 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.505 HD21 ' HE2' ' B' ' 86' ' ' PHE . 63.0 tp -136.26 140.39 43.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 55' ' ' HIS . 62.5 tp -154.44 145.5 22.73 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' B' ' 66' ' ' VAL . 13.0 p90 178.48 130.35 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.803 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.595 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.4 ptmm? -93.06 170.41 9.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.481 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.7 t -151.55 133.69 15.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.555 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.545 ' HE2' ' HA ' ' C' ' 1' ' ' MET . 10.2 mmt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.684 0.278 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.493 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 47.0 mmtm -79.39 135.05 36.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.091 0.472 . . . . 0.0 111.266 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.557 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 22.5 m-20 -102.44 113.06 26.08 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.628 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 66' ' ' VAL . 42.5 m -73.18 144.44 46.83 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.154 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.613 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -157.82 123.96 1.34 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.083 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.93 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.7 pp -162.24 142.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.102 0.477 . . . . 0.0 111.721 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 22.2 pt20 -97.41 94.64 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.317 179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.74 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 47.7 t -69.98 140.06 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.798 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.945 -0.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' C' ' 11' ' ' ASP . 0.0 OUTLIER -64.07 125.67 25.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.507 ' N ' ' HD3' ' C' ' 10' ' ' ARG . 2.9 p30 -171.45 41.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.879 0.371 . . . . 0.0 111.013 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.602 HD12 ' N ' ' C' ' 12' ' ' LEU . 4.5 mp -87.51 47.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.054 179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -152.84 129.88 11.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.731 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.73 39.44 3.09 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.952 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' C' ' 16' ' ' SER . 22.1 pttp 179.23 -48.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . 0.417 ' N ' ' HG3' ' C' ' 15' ' ' LYS . 57.0 m -67.59 -42.91 81.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.797 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 36.8 m170 62.9 130.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.921 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.451 ' N ' HG23 ' B' ' 70' ' ' THR . 65.0 mtt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.841 0.353 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.423 ' O ' ' CD2' ' B' ' 68' ' ' HIS . 54.3 mtpt -157.04 133.38 9.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.547 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 2.1 p30 -80.05 121.8 25.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.985 -179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.539 HG21 ' CE2' ' B' ' 86' ' ' PHE . 15.3 t -83.97 146.84 27.79 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.628 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -149.79 131.16 3.53 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.228 -0.987 . . . . 0.0 112.369 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.818 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -160.28 138.25 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.09 0.471 . . . . 0.0 111.937 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.515 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 22.3 pt20 -117.02 76.73 1.06 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.534 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.407 ' CG2' ' OH ' ' B' ' 75' ' ' TYR . 43.7 t -69.46 138.42 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 35.0 t70 -172.31 50.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.591 ' NH2' HD13 ' D' ' 12' ' ' LEU . 16.4 ptm180 -62.72 -45.55 92.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 58.05 51.6 8.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.235 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.656 HD23 ' H ' ' D' ' 12' ' ' LEU . 2.7 pt? -75.35 45.88 0.31 Allowed 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.965 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.37 137.3 58.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.805 0.336 . . . . 0.0 110.724 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.59 50.91 2.57 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.462 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.433 ' O ' ' OG ' ' D' ' 16' ' ' SER . 62.9 tttp -179.35 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.889 0.345 . . . . 0.0 110.969 179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' D' ' 15' ' ' LYS . 66.3 m -172.73 132.82 0.57 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.734 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -179.36 -46.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.765 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.899 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.759 0.314 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.7 m -60.08 135.22 57.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.794 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.82 130.08 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.934 ' HB2' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -59.5 122.09 13.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -71.74 -47.23 55.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.289 -179.715 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.727 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 53.07 72.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.337 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.512 ' CG2' ' HB2' ' A' ' 77' ' ' TYR . 34.0 m -70.6 140.74 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.693 0.283 . . . . 0.0 110.551 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 76' ' ' PHE . 20.4 mt -125.67 137.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.077 0.465 . . . . 0.0 112.142 -178.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -113.17 -52.49 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.909 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -101.64 143.99 30.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.129 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.75 51.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.932 0.396 . . . . 0.0 111.305 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.42 57.42 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.981 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 17' ' ' MET . 53.5 ttp -165.68 160.96 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.237 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -44.38 141.74 1.79 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.607 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 16.4 pt-20 -53.89 -47.28 71.27 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.861 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 12.5 pt-20 -59.25 -43.62 92.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.247 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 64.7 mtt -61.96 -48.42 80.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.125 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.748 ' CB ' HD12 ' A' ' 74' ' ' ILE . 15.2 pt20 -63.75 -39.59 94.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 97.1 mm-40 -66.7 -39.55 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.678 179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -63.57 -35.61 81.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.683 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.475 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.9 m -67.64 -44.28 78.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.902 0.382 . . . . 0.0 110.178 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG21 HD11 ' A' ' 8' ' ' ILE . 95.7 t -62.66 -46.89 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.655 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.24 -44.18 76.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.201 0.524 . . . . 0.0 110.118 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 46.6 t -65.71 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.729 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.672 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.75 -38.12 76.7 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 109.819 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.2 m -60.59 -48.44 81.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.314 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 84.9 mt-30 -58.7 -40.58 84.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.91 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -55.39 -44.91 76.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.185 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 38' ' ' ILE . 65.6 mt -61.3 -49.57 76.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 15.7 pt-20 -68.74 -30.13 68.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -83.24 -34.11 25.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.884 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.1 m-85 -128.28 -45.48 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.741 -0.384 . . . . 0.0 112.009 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t30 66.51 45.87 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.92 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.59 HD12 ' OD2' ' A' ' 37' ' ' ASP . 57.3 mt -151.25 124.03 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.563 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 36' ' ' LYS . 11.7 pm0 -45.73 -44.26 13.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.717 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.452 ' N ' ' HG2' ' A' ' 35' ' ' GLU . 16.7 ttpp -66.78 -53.31 34.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 111.0 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.59 ' OD2' HD12 ' A' ' 34' ' ' ILE . 29.1 m-20 -56.0 -45.22 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.383 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 29' ' ' LEU . 89.8 mt -51.87 -52.3 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.116 0.484 . . . . 0.0 110.865 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 43' ' ' LYS . . . -65.38 -28.88 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.173 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.49 ' CG ' ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -61.21 -48.95 79.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.255 -178.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 25' ' ' ALA . 65.0 mt -58.66 -39.41 76.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.277 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 3.3 tppp? -58.14 -52.44 65.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -59.32 -41.21 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.456 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.0 mm-40 -56.34 -50.37 71.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 0.0 111.164 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.446 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 36.3 m-85 -69.19 -46.41 67.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 52' ' ' PRO . 28.9 m-20 -55.31 -40.76 71.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.0 111.252 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -75.42 -42.7 52.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.172 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.0 mtpt -78.48 -70.27 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.555 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 6.9 m-30 -74.0 -14.36 61.01 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.8 m120 90.92 143.98 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.472 0 O-C-N 123.329 0.393 . . . . 0.0 110.364 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 53' ' ' THR . 38.0 Cg_endo -66.12 171.86 9.54 Favored 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.416 2.077 . . . . 0.0 112.798 -179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 12.3 t -115.46 123.09 47.71 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 122.649 0.379 . . . . 0.0 110.959 0.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.632 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.9 m95 -93.51 137.67 32.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.054 -179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 27.1 m-70 -111.38 134.55 52.88 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.67 ' O ' HD13 ' A' ' 57' ' ' ILE . 46.5 t -134.47 147.27 50.35 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 56' ' ' CYS . 40.7 mm -147.06 138.1 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.294 179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 82' ' ' ALA . 43.9 t -152.5 135.44 7.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.713 0.292 . . . . 0.0 111.228 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.608 ' O ' HG23 ' A' ' 81' ' ' VAL . . . 177.57 -140.66 4.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.753 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 58.9 mtt85 -159.33 36.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 111.202 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.5 ' HB3' ' HB3' ' B' ' 61' ' ' ASN . 19.5 t30 165.94 82.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.846 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.473 ' HB3' ' CD2' ' B' ' 62' ' ' PHE . 2.3 p90 -160.43 138.69 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.411 0.624 . . . . 0.0 112.601 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.583 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -120.78 133.76 9.89 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.775 ' HB2' HD13 ' B' ' 57' ' ' ILE . 79.6 p -159.28 167.01 30.02 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -177.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.724 ' CZ ' ' HB2' ' B' ' 40' ' ' ALA . 17.1 m-85 -134.66 144.01 47.59 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 114.056 -1.429 . . . . 0.0 109.604 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 6.2 t -156.27 161.84 1.83 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.939 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.486 HG23 ' O ' ' C' ' 1' ' ' MET . 92.1 m -117.84 145.57 44.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 28.6 p80 -164.64 147.82 8.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.144 0.497 . . . . 0.0 112.083 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -58.16 141.93 48.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.023 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.0 p -56.15 154.15 8.22 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.414 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 71' ' ' LYS . 0.6 OUTLIER 61.7 40.88 12.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.486 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.432 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 91.2 m-70 -159.51 48.6 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.934 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 8.2 t80 -157.88 146.88 19.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.042 0.448 . . . . 0.0 111.505 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.748 HD12 ' CB ' ' A' ' 18' ' ' GLN . 7.4 tt -161.48 145.25 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.407 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.672 ' CD2' HD13 ' A' ' 84' ' ' LEU . 2.2 t80 -138.9 134.92 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' A' ' 83' ' ' ILE . 9.3 p90 -165.44 142.16 5.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.512 ' HB2' ' CG2' ' A' ' 7' ' ' VAL . 4.2 m-85 -94.56 145.69 24.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.65 178.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.934 HD11 ' HB2' ' A' ' 4' ' ' ARG . 31.1 tp -151.53 139.02 19.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.035 0.445 . . . . 0.0 111.841 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.551 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 66.35 -64.57 0.16 Allowed Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.267 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 78' ' ' LEU . 17.3 pt20 178.63 37.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.771 0.32 . . . . 0.0 110.261 179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -158.05 144.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.615 0.721 . . . . 0.0 112.047 -179.57 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 58' ' ' VAL . . . -80.52 135.2 36.06 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.594 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.526 HD12 ' HE1' ' A' ' 76' ' ' PHE . 57.0 mt -125.01 143.24 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.672 HD13 ' CD2' ' A' ' 75' ' ' TYR . 56.9 tp -137.17 140.0 41.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.933 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.475 HD23 ' OG ' ' A' ' 21' ' ' SER . 55.0 tp -157.44 136.57 11.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.49 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.532 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 5.4 p90 -172.88 127.01 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.632 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 22.1 ptmt -92.72 167.41 11.9 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.1 0.476 . . . . 0.0 111.644 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m -148.84 131.12 15.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.641 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.514 179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.8 0.334 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 82.8 m -61.59 134.12 56.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 62.69 130.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.502 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 0.8 OUTLIER -72.68 116.04 12.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.782 ' HD3' HD11 ' B' ' 78' ' ' LEU . 0.0 OUTLIER -56.7 -31.65 64.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.073 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.776 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -50.22 132.8 24.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.615 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 29.8 m -101.62 137.88 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.963 0.411 . . . . 0.0 111.732 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.628 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -82.94 144.56 9.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.603 179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -128.76 -35.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.825 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -147.49 49.49 1.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.715 0.293 . . . . 0.0 111.733 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -61.66 136.02 57.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.559 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -158.47 62.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 0.0 111.443 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.472 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 21.9 ptm -170.89 -174.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.1 m -55.65 136.84 50.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.469 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 55.8 mt-10 -54.98 -44.97 74.94 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.359 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.518 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.4 pt-20 -61.57 -41.74 97.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.257 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.472 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 66.3 mtt -65.7 -46.3 79.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.269 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.839 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.5 pt20 -66.46 -38.25 86.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.354 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.5 pt20 -72.42 -37.7 68.55 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.468 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -69.6 -37.77 77.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.432 ' OG ' HD23 ' B' ' 85' ' ' LEU . 47.8 t -67.53 -43.64 80.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.973 0.416 . . . . 0.0 110.051 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 18' ' ' GLN . 67.7 t -64.32 -47.17 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.555 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.11 -42.35 84.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.046 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 46.5 t -64.41 -33.95 77.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.652 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.713 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.47 -39.05 77.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.25 0.548 . . . . 0.0 109.905 179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.505 ' OG1' HD21 ' B' ' 78' ' ' LEU . 86.9 m -60.3 -45.06 94.68 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.173 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.42 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 25.6 mt-30 -60.37 -42.82 96.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.117 179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.68 -42.53 75.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.194 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.782 ' CD2' HD11 ' B' ' 38' ' ' ILE . 50.2 mt -63.59 -48.64 76.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.573 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.42 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 11.9 pt-20 -68.64 -29.23 67.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.4 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -86.69 -36.41 18.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -113.8 -43.14 3.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 66.13 38.06 4.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 110.39 -179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 38' ' ' ILE . 54.9 mt -153.75 123.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.555 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.71 ' HA ' HD12 ' B' ' 38' ' ' ILE . 15.2 pt-20 -47.19 -43.71 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.909 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -54.63 -57.44 11.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.911 0.386 . . . . 0.0 111.787 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.11 -40.2 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.057 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.782 HD11 ' CD2' ' B' ' 29' ' ' LEU . 81.2 mt -50.05 -59.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.778 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' ' 43' ' ' LYS . . . -65.66 -27.56 68.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.724 ' HB2' ' CZ ' ' A' ' 65' ' ' TYR . . . -66.85 -63.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.53 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -64.62 -45.67 85.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.468 -178.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' B' ' 25' ' ' ALA . 83.0 mt -59.54 -41.6 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.783 0.325 . . . . 0.0 111.26 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.49 ' HB3' ' NZ ' ' B' ' 43' ' ' LYS . 5.2 ttpm? -60.41 -54.88 40.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.338 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.415 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 21.1 pttp -59.31 -39.54 83.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.293 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -56.09 -50.39 71.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.426 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.476 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 35.0 m-85 -64.57 -44.33 91.05 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.3 m-20 -61.08 -36.67 80.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.905 0.383 . . . . 0.0 111.177 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 4.4 tmtt? -71.61 -43.89 65.41 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.012 0.435 . . . . 0.0 111.397 -179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -83.23 -59.35 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.5 m-85 -80.8 -21.49 40.88 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.665 -177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 61.2 m-20 92.7 140.91 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.39 0 C-N-CA 122.593 0.357 . . . . 0.0 110.181 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.85 167.82 1.4 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.419 2.079 . . . . 0.0 112.852 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.724 HG22 ' O ' ' B' ' 88' ' ' SER . 11.8 t -117.34 121.23 40.55 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 122.607 0.363 . . . . 0.0 111.236 0.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.672 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.4 m95 -98.38 134.32 41.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.239 0.542 . . . . 0.0 112.186 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.482 ' O ' HD12 ' B' ' 85' ' ' LEU . 21.6 m-70 -112.88 139.53 48.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.135 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 64' ' ' SER . 52.6 t -140.9 140.08 34.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.18 0.514 . . . . 0.0 112.273 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 64' ' ' SER . 38.2 mm -131.83 144.05 38.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.93 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 49.1 t -155.96 140.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 121.015 0.436 . . . . 0.0 111.75 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.76 -143.57 7.4 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.608 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.532 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 84.8 mtm180 -161.04 31.16 0.14 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 168.16 81.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.202 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.4 p90 -169.09 148.08 3.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.261 0.553 . . . . 0.0 112.302 -179.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -96.47 133.33 11.38 Favored Glycine 0 N--CA 1.452 -0.251 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 59.4 m -122.94 146.85 47.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.439 ' CE2' ' HG2' ' A' ' 43' ' ' LYS . 9.7 t80 -150.24 125.74 10.22 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.927 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' B' ' 86' ' ' PHE . 47.8 t -157.85 163.69 1.22 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.352 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.565 ' N ' HG12 ' B' ' 66' ' ' VAL . 86.3 m -112.57 151.9 29.5 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.423 ' CD2' ' OG1' ' D' ' 4' ' ' THR . 27.3 p80 -165.49 138.98 4.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.065 0.459 . . . . 0.0 111.624 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.47 158.01 27.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.602 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.616 HG23 ' N ' ' D' ' 1' ' ' MET . 71.8 p -56.44 151.99 12.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 0.0 111.76 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.5 mmtp 63.97 37.37 9.42 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.229 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.503 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 85.0 m-70 -163.06 69.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.097 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.653 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 13.3 t80 -165.18 131.91 2.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.576 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.668 ' O ' HD12 ' B' ' 84' ' ' LEU . 12.3 tt -156.38 140.75 8.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.229 0.538 . . . . 0.0 111.913 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.492 ' OH ' ' HB1' ' B' ' 82' ' ' ALA . 54.0 t80 -142.54 139.72 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.468 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.674 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.6 p90 -168.9 143.24 3.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.148 0.499 . . . . 0.0 111.885 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.401 ' CE2' ' CZ ' ' D' ' 10' ' ' ARG . 4.6 m-85 -81.76 148.42 28.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.295 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.782 HD11 ' HD3' ' B' ' 5' ' ' LYS . 27.5 tp -167.06 139.11 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.194 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.459 ' HA3' HD13 ' B' ' 29' ' ' LEU . . . 55.2 39.51 71.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 57.81 36.07 26.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.789 0.328 . . . . 0.0 111.074 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.631 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.9 m -153.04 133.78 4.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.003 0.43 . . . . 0.0 110.867 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.492 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.88 135.82 49.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.677 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' B' ' 78' ' ' LEU . 58.0 mt -127.22 138.76 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.668 HD12 ' O ' ' B' ' 74' ' ' ILE . 61.2 tp -134.52 141.9 46.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.438 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.528 ' O ' HG22 ' B' ' 74' ' ' ILE . 57.0 tp -156.76 144.49 19.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.028 0.442 . . . . 0.0 111.391 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.653 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 8.1 p90 176.67 136.36 0.06 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.701 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.672 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.7 ptmm? -91.59 170.22 10.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.153 0.502 . . . . 0.0 111.562 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.724 ' O ' HG22 ' B' ' 53' ' ' THR . 44.8 t -142.19 128.72 20.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.805 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.392 -1.226 . . . . 0.0 112.481 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.486 ' O ' HG23 ' A' ' 67' ' ' THR . 68.2 mtm . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.88 0.371 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.06 130.89 44.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -78.75 109.48 13.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.307 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.54 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.7 t -71.23 145.71 49.46 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.238 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.65 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -146.91 123.16 1.72 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.966 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.832 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.4 pp -162.18 148.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.057 0.456 . . . . 0.0 111.805 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.583 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 3.0 pp0? -147.17 145.72 29.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 61' ' ' ASN . 50.5 t -149.44 153.31 10.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.504 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.796 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.49 ' CZ ' HD11 ' C' ' 12' ' ' LEU . 76.4 mtp180 -63.69 -40.07 95.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.68 51.31 4.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.743 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' C' ' 10' ' ' ARG . 88.1 mt -71.87 51.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.62 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 38.6 t70 53.13 45.72 28.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.753 0.311 . . . . 0.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.86 -39.39 2.84 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.128 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -152.7 -44.05 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.91 0.355 . . . . 0.0 111.112 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 78.4 p -174.37 139.37 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -173.54 -47.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.646 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' C' ' 18' ' ' LYS . 12.8 mptt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.893 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.616 ' N ' HG23 ' B' ' 70' ' ' THR . 65.5 mtt . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.751 0.31 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -158.19 136.77 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.095 0.474 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.557 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 8.3 t0 -82.92 119.26 24.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.655 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.483 ' N ' ' O ' ' B' ' 66' ' ' VAL . 31.9 m -71.22 144.4 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.221 178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.529 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -155.24 127.93 2.18 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.444 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.893 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -160.3 142.3 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -117.4 139.21 51.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -137.57 146.44 27.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.025 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.42 ' HA ' ' ND2' ' B' ' 61' ' ' ASN . 12.2 p-10 -168.57 41.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.401 ' CZ ' ' CE2' ' B' ' 77' ' ' TYR . 99.2 mtt180 -73.12 -43.21 61.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 60.58 46.94 8.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.687 HD23 ' HD2' ' D' ' 18' ' ' LYS . 86.4 mt -78.28 49.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.524 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' D' ' 17' ' ' HIS . 37.3 t70 -68.61 -46.5 69.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.818 0.342 . . . . 0.0 110.727 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -179.34 41.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.601 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 67.99 -55.95 0.49 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 51.9 m -54.17 -46.42 72.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.629 0.252 . . . . 0.0 111.172 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . 0.427 ' HB2' ' HB3' ' D' ' 13' ' ' ASP . 27.4 m80 -67.32 -45.28 76.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . 0.687 ' HD2' HD23 ' D' ' 12' ' ' LEU . 61.8 tttm . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.5 ttp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.782 0.325 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.3 m 62.57 134.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' HB3' ' HD3' ' A' ' 4' ' ' ARG . 1.5 m-20 62.56 143.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.501 ' HD3' ' N ' ' A' ' 4' ' ' ARG . 1.4 mpp_? 65.6 130.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -158.16 -102.18 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.805 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 62.9 124.92 0.01 OUTLIER 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.707 0.289 . . . . 0.0 111.477 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.0 m -87.78 139.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.528 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.653 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -96.85 125.69 49.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.18 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -92.22 -38.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.697 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -168.59 135.88 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.224 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB2' HG13 ' A' ' 74' ' ' ILE . . . -155.95 136.18 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.143 0.497 . . . . 0.0 111.887 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' PHE . 55.6 m-20 -122.54 54.36 1.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.989 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.437 ' HE2' ' CA ' ' A' ' 72' ' ' HIS . 43.7 ttm -138.1 153.84 49.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.904 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.3 m -45.15 141.14 2.49 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.501 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 95.1 mt-10 -53.42 -46.96 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.804 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.49 -43.98 96.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.654 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.431 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 61.2 mtt -60.02 -50.05 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.396 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.865 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.0 pt20 -59.44 -36.66 76.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.252 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 12.5 mm100 -62.73 -42.84 99.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.026 0.441 . . . . 0.0 110.118 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.21 -36.05 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.546 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.8 p -67.32 -41.43 85.32 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 18' ' ' GLN . 61.3 t -62.85 -50.69 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.263 179.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -64.38 -44.74 90.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.804 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.04 -32.05 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.741 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -69.35 -40.52 77.46 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.833 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.4 m -57.79 -44.65 86.43 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.909 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.45 -40.52 91.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.579 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.911 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -51.96 -48.44 64.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.836 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.58 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 61.2 mt -59.07 -52.22 66.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.286 0.565 . . . . 0.0 110.665 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.58 -30.46 71.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.145 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 98.4 mttt -81.16 -38.52 27.0 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 31' ' ' LYS . 7.3 m-85 -139.11 -56.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.58 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 43.2 t30 63.89 50.66 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.528 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.684 HG22 ' O ' ' A' ' 34' ' ' ILE . 46.4 mt -136.09 30.34 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.0 111.022 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 59.17 -70.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.007 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 34' ' ' ILE . 18.3 ttpp -58.74 -53.91 53.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.123 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.4 m-20 -52.71 -40.79 63.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.763 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.911 HG23 ' CB ' ' A' ' 28' ' ' ALA . 62.6 mt -54.68 -50.44 59.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -66.71 -30.27 70.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.929 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -63.44 -55.55 23.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.49 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -69.76 -45.15 68.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.854 0.359 . . . . 0.0 111.826 -178.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 ' HA ' ' A' ' 25' ' ' ALA . 68.8 mt -63.21 -47.26 93.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.776 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -61.97 -52.69 63.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.313 -179.01 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -57.69 -34.85 69.86 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.598 -179.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 44.6 tt0 -63.78 -52.16 61.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 110.555 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 48.9 m-85 -65.87 -44.45 85.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.487 ' OD1' ' HB3' ' A' ' 52' ' ' PRO . 13.3 t70 -52.2 -44.84 64.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -79.46 -44.2 21.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.134 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -72.14 -65.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.6 m-85 -79.76 -11.18 59.85 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.253 -178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 62.0 m-20 93.15 145.08 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 C-N-CA 122.787 0.435 . . . . 0.0 110.431 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.487 ' HB3' ' OD1' ' A' ' 47' ' ' ASP . 39.9 Cg_endo -66.39 168.26 16.66 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.498 2.132 . . . . 0.0 113.043 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.517 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 11.6 t -115.71 125.4 52.76 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 122.634 0.374 . . . . 0.0 110.671 0.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.616 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.1 m95 -97.82 131.42 44.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.256 0.551 . . . . 0.0 112.089 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.512 ' CE1' HG23 ' A' ' 53' ' ' THR . 17.0 m-70 -111.07 137.53 48.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.312 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.527 ' HB2' HD13 ' A' ' 85' ' ' LEU . 51.1 t -141.32 150.16 42.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.329 0.585 . . . . 0.0 112.274 -178.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 62' ' ' PHE . 51.5 mt -149.12 147.62 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.837 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 52.9 t -153.92 137.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.151 0.5 . . . . 0.0 111.614 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.9 -137.45 3.06 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.921 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.634 ' HA ' HG11 ' C' ' 8' ' ' VAL . 0.0 OUTLIER -177.27 37.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 179.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 169.28 70.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.308 179.643 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' CG ' ' HB3' ' B' ' 62' ' ' PHE . 20.8 p90 -168.28 133.96 1.85 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.19 141.64 30.4 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.405 ' OG ' ' CE2' ' A' ' 62' ' ' PHE . 59.6 m -136.2 143.78 44.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.668 0.734 . . . . 0.0 112.938 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' B' ' 40' ' ' ALA . 7.0 t80 -146.9 134.26 20.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.935 178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 86' ' ' PHE . 30.1 t -155.72 166.49 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.725 0.298 . . . . 0.0 111.565 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 66' ' ' VAL . 99.7 m -130.05 140.58 50.83 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -153.52 154.2 33.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.962 0.411 . . . . 0.0 111.634 -177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 70' ' ' THR . 5.3 tp10 -57.29 -110.48 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 69' ' ' GLU . 60.1 p -163.46 159.24 21.95 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.162 0.506 . . . . 0.0 112.056 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 6.9 mmpt? 66.55 39.76 3.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.449 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.509 ' HB2' ' HG2' ' A' ' 87' ' ' LYS . 3.5 p80 -175.56 51.48 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.052 0.453 . . . . 0.0 111.819 179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.725 ' HA ' ' HB3' ' A' ' 86' ' ' PHE . 6.0 t80 -130.51 140.53 50.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.974 178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.706 HD12 ' CB ' ' A' ' 18' ' ' GLN . 10.7 tt -163.2 131.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.391 0.615 . . . . 0.0 111.953 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.595 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 38.6 t80 -129.06 133.83 47.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.346 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.458 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 1.6 p90 -165.17 138.66 4.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.111 0.482 . . . . 0.0 112.261 -178.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.643 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 4.4 m-85 -85.79 156.03 20.77 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.621 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.805 HD13 ' HB2' ' A' ' 6' ' ' ALA . 54.9 tp -154.7 132.85 11.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.854 0.359 . . . . 0.0 111.415 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.51 -64.79 0.17 Allowed Glycine 0 C--N 1.333 0.414 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.954 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' LEU . 25.8 pt20 179.43 38.22 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.883 0.373 . . . . 0.0 110.122 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.6 m -156.91 131.81 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.13 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . . . -69.91 139.71 52.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 58.0 mt -125.52 131.81 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.515 HD21 ' HE2' ' A' ' 86' ' ' PHE . 53.1 tp -126.12 140.32 52.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 56' ' ' CYS . 64.4 tp -158.64 141.87 14.86 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.881 0.372 . . . . 0.0 111.312 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.725 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 4.7 p90 176.78 139.97 0.07 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.112 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 64.0 pttt -95.64 170.29 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.102 0.477 . . . . 0.0 111.61 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.402 ' O ' HG22 ' A' ' 53' ' ' THR . 43.4 t -148.58 139.3 22.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.728 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.338 -1.257 . . . . 0.0 112.469 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 84.4 m 62.79 132.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.91 131.35 47.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.521 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 4.8 tmm_? -177.68 128.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.146 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.521 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.4 mmtt -149.91 -139.12 0.09 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.423 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.99 ' HB2' HD22 ' B' ' 78' ' ' LEU . . . 64.02 124.85 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.695 0.283 . . . . 0.0 111.092 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 27.6 m -93.26 136.02 26.29 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.039 0.447 . . . . 0.0 111.586 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.614 ' CG2' ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -77.4 133.95 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.049 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' B' ' 9' ' ' LYS . 3.5 mmmp? -119.68 -29.94 4.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.055 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -150.85 50.08 0.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.596 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . -60.6 143.93 52.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -170.97 53.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.412 ' CE ' ' HB3' ' B' ' 17' ' ' MET . 55.3 ttp -169.25 162.91 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.694 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.8 m -40.59 138.01 1.04 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.02 0.438 . . . . 0.0 111.621 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.401 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 52.4 mm-40 -53.99 -43.66 70.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.671 -179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -62.41 -40.65 97.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.2 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.412 ' HB3' ' CE ' ' B' ' 13' ' ' MET . 65.5 mtt -65.13 -50.86 64.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.016 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.816 ' O ' HG23 ' B' ' 22' ' ' VAL . 19.9 pt20 -66.47 -38.29 87.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.852 0.358 . . . . 0.0 110.621 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -68.93 -38.86 79.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.595 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.01 -39.27 94.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.2 t -68.58 -41.11 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.888 0.375 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.869 HG22 ' CE2' ' B' ' 76' ' ' PHE . 48.0 t -64.63 -45.98 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.401 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.65 -46.83 71.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.231 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 88.1 m -67.34 -28.73 68.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.16 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.914 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -72.46 -41.08 66.47 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.081 0.467 . . . . 0.0 109.988 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 86.7 m -61.88 -46.42 89.5 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.461 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 85.4 mt-30 -60.7 -40.61 92.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.076 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.662 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -55.87 -44.35 78.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.212 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.886 ' CD2' HD11 ' B' ' 38' ' ' ILE . 59.7 mt -64.36 -41.58 96.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -65.59 -36.93 85.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.628 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 61.0 pttt -89.76 -36.36 15.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.462 ' CE2' ' HE3' ' B' ' 31' ' ' LYS . 44.7 m-85 -111.1 -45.25 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.57 45.36 6.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.973 0.416 . . . . 0.0 110.298 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.519 ' O ' HG13 ' B' ' 38' ' ' ILE . 58.2 mt -148.77 123.72 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' B' ' 38' ' ' ILE . 13.1 pt-20 -46.74 -44.68 19.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.009 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.502 ' NZ ' ' HB3' ' B' ' 36' ' ' LYS . 5.9 ttpm? -61.66 -57.33 12.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.936 0.398 . . . . 0.0 111.566 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.21 -43.59 64.31 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.239 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.886 HD11 ' CD2' ' B' ' 29' ' ' LEU . 82.4 mt -47.32 -58.23 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.091 0.472 . . . . 0.0 111.303 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' B' ' 43' ' ' LYS . . . -66.86 -23.74 66.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.074 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -63.93 -62.88 1.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.848 0.356 . . . . 0.0 111.883 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.662 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.7 OUTLIER -68.52 -45.72 71.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 -179.078 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.914 HD11 ' HA ' ' B' ' 25' ' ' ALA . 69.1 mt -56.75 -46.11 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.583 ' NZ ' ' HA ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -63.81 -49.65 72.05 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.86 -179.622 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.15 -45.09 83.9 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.637 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' B' ' 49' ' ' LYS . 97.3 mt-10 -59.04 -47.2 86.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' B' ' 42' ' ' ILE . 4.7 m-85 -65.17 -45.41 84.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.687 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.1 m-20 -60.0 -33.53 72.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.029 0.442 . . . . 0.0 110.527 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 4.5 tmtt? -80.48 -42.7 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 45' ' ' GLU . 97.4 mttt -78.53 -60.53 2.34 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.519 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.4 m-85 -84.12 -17.99 38.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 63.6 m-20 93.28 144.03 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.42 0 C-N-CA 122.696 0.398 . . . . 0.0 110.065 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' B' ' 47' ' ' ASP . 34.1 Cg_exo -61.36 170.53 5.17 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.306 2.004 . . . . 0.0 112.626 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.59 HG22 ' HB3' ' B' ' 88' ' ' SER . 9.7 t -118.16 116.13 26.21 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-O 121.178 0.513 . . . . 0.0 111.051 0.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.719 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 20.5 m95 -91.57 147.31 23.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.959 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' B' ' 85' ' ' LEU . 20.5 m-70 -125.2 137.03 54.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.283 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.738 ' O ' HD13 ' B' ' 57' ' ' ILE . 51.2 t -143.0 147.07 34.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.25 0.548 . . . . 0.0 112.074 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.738 HD13 ' O ' ' B' ' 56' ' ' CYS . 35.0 mm -143.75 144.77 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.96 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' B' ' 82' ' ' ALA . 61.1 t -150.68 132.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.101 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.88 -136.87 2.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.65 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.668 ' HD2' HD11 ' D' ' 12' ' ' LEU . 86.1 mtm180 -158.74 30.04 0.22 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.544 0.212 . . . . 0.0 111.546 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 164.87 83.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.589 ' HB3' ' CG ' ' A' ' 62' ' ' PHE . 3.5 p90 -155.63 133.28 11.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -96.99 147.72 18.77 Favored Glycine 0 N--CA 1.452 -0.277 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.41 ' HB3' HG23 ' A' ' 57' ' ' ILE . 81.5 p -159.04 150.43 20.4 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 118.15 0.975 . . . . 0.0 113.226 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' D' ' 3' ' ' ASP . 3.0 t80 -139.61 132.18 28.76 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 114.43 -1.259 . . . . 0.0 108.586 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.558 ' HB ' HG22 ' D' ' 4' ' ' THR . 35.4 t -155.69 165.94 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 CA-C-N 116.783 -0.189 . . . . 0.0 111.43 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.556 ' N ' HG12 ' B' ' 66' ' ' VAL . 87.6 m -118.51 149.39 41.38 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 28.1 p80 -164.58 145.86 8.1 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.972 0.415 . . . . 0.0 111.956 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' D' ' 1' ' ' MET . 16.1 pt-20 -62.12 150.58 38.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.775 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 77.5 p -56.27 150.7 13.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.214 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 10.5 mmpt? 66.97 36.53 4.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.43 ' CD2' ' HD2' ' B' ' 87' ' ' LYS . 64.9 m80 -157.4 69.63 0.57 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.659 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.682 ' HE1' HD11 ' B' ' 84' ' ' LEU . 27.8 t80 -165.55 134.8 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.445 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.863 HD11 ' HD2' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -157.35 141.4 7.47 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-O 121.128 0.489 . . . . 0.0 111.63 -179.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.749 ' N ' HD13 ' B' ' 74' ' ' ILE . 4.1 t80 -147.72 146.64 29.32 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.863 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.869 ' CE2' HG22 ' B' ' 22' ' ' VAL . 3.6 p90 -167.02 146.04 5.21 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.109 0.48 . . . . 0.0 111.897 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -92.47 141.56 28.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.956 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.99 HD22 ' HB2' ' B' ' 6' ' ' ALA . 57.0 tp -168.44 145.68 3.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 111.688 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.14 39.41 70.3 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.487 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.599 ' HB3' HD12 ' D' ' 12' ' ' LEU . 0.4 OUTLIER 55.29 38.18 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.811 0.339 . . . . 0.0 110.758 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.5 m -156.93 132.39 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.737 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -73.2 141.57 47.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.235 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.613 HD12 ' HE1' ' B' ' 76' ' ' PHE . 57.0 mt -132.52 142.2 43.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.604 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.782 HD12 ' O ' ' B' ' 74' ' ' ILE . 65.1 tp -143.03 145.63 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.709 HD21 ' CE3' ' B' ' 54' ' ' TRP . 5.4 tt -159.48 141.08 13.09 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.394 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.538 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 1.9 p90 -178.61 131.67 0.13 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.304 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.719 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 17.8 ptpt -81.99 156.9 24.44 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.768 0.318 . . . . 0.0 111.101 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.59 ' HB3' HG22 ' B' ' 53' ' ' THR . 26.2 t -71.43 -152.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.72 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.422 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.534 ' CB ' HG22 ' A' ' 67' ' ' THR . 66.6 mtt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.825 0.345 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -82.39 129.91 34.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.3 p30 -83.47 123.2 29.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.381 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 66' ' ' VAL . 8.9 t -86.27 132.4 34.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.294 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.481 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -119.52 126.36 6.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.366 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.481 HG23 ' O ' ' C' ' 5' ' ' GLY . 46.8 pt -161.54 170.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.021 0.438 . . . . 0.0 111.276 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -158.79 119.35 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.526 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.634 HG11 ' HA ' ' A' ' 60' ' ' ARG . 22.2 t -87.27 138.67 18.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.79 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.034 -0.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.47 ' C ' HD12 ' C' ' 12' ' ' LEU . 8.0 tpt180 62.44 -134.16 0.5 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 59.59 40.84 19.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.506 HD12 ' N ' ' C' ' 12' ' ' LEU . 6.4 mp -81.8 50.0 1.45 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.156 179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . 0.451 ' HB2' ' HD2' ' C' ' 18' ' ' LYS . 38.7 t70 -178.81 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.706 0.289 . . . . 0.0 111.193 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' C' ' 15' ' ' LYS . . . 80.43 137.81 1.93 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.657 -0.782 . . . . 0.0 111.918 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' C' ' 14' ' ' GLY . 27.2 mtpp 70.32 -57.36 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.588 0.233 . . . . 0.0 110.85 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.6 t -65.11 137.25 57.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.729 0.3 . . . . 0.0 110.45 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -81.14 46.78 0.95 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.809 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . 0.451 ' HD2' ' HB2' ' C' ' 13' ' ' ASP . 98.3 mttt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.88 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.42 ' HA ' ' HA ' ' B' ' 69' ' ' GLU . 56.3 ttp . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.729 0.299 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -155.97 134.47 11.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.221 0.534 . . . . 0.0 111.004 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 11.0 p-10 -77.32 123.8 26.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.92 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.558 HG22 ' HB ' ' B' ' 66' ' ' VAL . 11.1 t -79.81 142.33 35.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.32 132.37 5.79 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.258 -0.972 . . . . 0.0 112.686 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.523 HD13 HD22 ' B' ' 84' ' ' LEU . 50.6 pt -153.38 168.91 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.972 0.415 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.493 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 3.0 pt20 -162.66 69.88 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.883 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.3 138.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.772 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.438 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 29.5 t70 -170.96 110.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.534 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 179.39 132.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' D' ' 13' ' ' ASP . 56.1 m-20 -81.78 48.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.355 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.668 HD11 ' HD2' ' B' ' 60' ' ' ARG . 2.8 mm? 67.86 -32.14 0.2 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.349 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' D' ' 11' ' ' ASP . 56.7 m-20 59.02 46.89 12.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.895 0.378 . . . . 0.0 111.027 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.12 -44.42 93.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.429 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -63.37 -47.22 82.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -179.2 135.49 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -61.1 135.01 57.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.911 -179.897 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 94.4 mmm . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.72 0.295 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 1' ' ' MET . 50.4 t 69.18 -56.4 0.54 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.58 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.494 ' OD1' ' HG3' ' A' ' 4' ' ' ARG . 9.0 t0 -59.57 135.87 57.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.813 0.339 . . . . 0.0 110.442 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.494 ' HG3' ' OD1' ' A' ' 3' ' ' ASP . 60.1 mtm180 63.01 36.91 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.037 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.653 ' HE3' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -61.25 -18.22 57.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.772 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -38.65 130.78 1.36 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG22 ' HB2' ' A' ' 77' ' ' TYR . 21.7 m -100.67 138.54 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.066 0.46 . . . . 0.0 111.719 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.7 mp -99.31 147.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.497 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -141.22 -47.5 0.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 75' ' ' TYR . 4.1 m120 -103.21 48.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 111.233 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -61.9 128.6 36.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.82 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -154.01 58.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.474 ' HG2' ' HB2' ' A' ' 17' ' ' MET . 54.3 ttp -178.24 158.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.828 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.4 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 57.8 m -38.39 140.43 0.31 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.876 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 50.5 mt-10 -51.86 -48.6 63.95 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.84 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.55 -42.74 97.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.945 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.474 ' HB2' ' HG2' ' A' ' 13' ' ' MET . 65.4 mtt -60.88 -49.64 76.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.641 ' CB ' HD12 ' A' ' 74' ' ' ILE . 14.5 pt20 -62.81 -40.93 98.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.855 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -64.33 -40.05 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.079 0.466 . . . . 0.0 110.186 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.518 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 38.2 t70 -64.0 -38.6 91.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.739 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.529 ' OG ' HD23 ' A' ' 85' ' ' LEU . 49.1 m -64.43 -46.35 83.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.135 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 18' ' ' GLN . 77.4 t -59.63 -47.5 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.077 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HG2' ' HA ' ' A' ' 20' ' ' ASP . 12.4 pt-20 -68.06 -44.66 75.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.97 0.415 . . . . 0.0 110.177 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.8 -33.4 75.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.108 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.918 ' HB2' HD11 ' A' ' 42' ' ' ILE . . . -70.3 -39.92 74.54 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.383 0.611 . . . . 0.0 109.742 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.5 m -59.74 -47.12 86.93 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.611 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.57 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 41.5 tt0 -57.94 -49.17 77.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.895 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -49.74 -41.19 43.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.797 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 38' ' ' ILE . 56.6 mt -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.598 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.96 -25.32 67.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.066 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.57 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 4.7 mptp? -78.32 -32.06 49.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.958 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.49 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 51.8 m-85 -144.72 -39.18 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.666 ' O ' HD13 ' A' ' 34' ' ' ILE . 73.4 m-80 73.35 48.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.455 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 33' ' ' ASN . 49.4 mm -143.06 129.62 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -49.63 -41.49 42.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.494 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' H ' HG22 ' A' ' 34' ' ' ILE . 35.8 ttpt -62.9 -56.12 20.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.003 0.43 . . . . 0.0 111.22 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -53.82 -43.62 69.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.17 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.922 HD11 HD21 ' A' ' 29' ' ' LEU . 78.1 mt -47.29 -44.75 8.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 120.943 0.401 . . . . 0.0 111.044 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.822 ' HB1' ' HB2' ' A' ' 56' ' ' CYS . . . -60.97 -38.18 85.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.069 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.7 -48.36 82.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.661 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CD2' ' CB ' ' A' ' 28' ' ' ALA . 73.5 m-70 -60.29 -57.18 13.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.999 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.918 HD11 ' HB2' ' A' ' 25' ' ' ALA . 68.5 mt -61.99 -35.9 70.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.221 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 11.3 tmtt? -65.1 -59.12 4.47 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 45' ' ' GLU . 65.0 pttt -63.28 -46.99 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.7 tp10 -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 111.419 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.444 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 4.9 m-85 -78.37 -42.59 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 0.9 OUTLIER -60.26 -34.22 73.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.803 0.335 . . . . 0.0 111.024 179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -80.72 -41.03 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.983 0.421 . . . . 0.0 111.172 -179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -80.7 -58.11 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.9 m-85 -88.36 -14.12 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 65.7 m-20 94.86 143.69 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 C-N-CA 122.859 0.464 . . . . 0.0 110.544 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 43.7 Cg_endo -67.64 169.22 16.37 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.639 2.226 . . . . 0.0 113.046 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 53' ' ' THR . 13.0 t -116.77 123.0 46.08 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.715 0.406 . . . . 0.0 110.972 0.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.685 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 23.7 m95 -92.8 127.79 38.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 111.723 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 32.6 m-70 -93.9 131.69 39.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.517 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.822 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 79.3 m -122.83 141.19 52.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.216 0.531 . . . . 0.0 112.073 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 56' ' ' CYS . 39.6 mm -147.18 137.51 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.501 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.411 HG11 HD12 ' A' ' 38' ' ' ILE . 45.9 t -152.59 135.43 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.838 0.351 . . . . 0.0 111.232 -179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.33 -131.54 1.83 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.252 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.666 ' HD2' HD21 ' C' ' 12' ' ' LEU . 24.1 ptt-85 -175.53 38.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.839 0.352 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.8 OUTLIER 167.68 80.7 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 14.3 p90 -162.06 135.84 6.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.549 0.69 . . . . 0.0 112.416 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -110.07 139.83 15.57 Favored Glycine 0 N--CA 1.453 -0.203 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.681 ' HB3' HG23 ' B' ' 57' ' ' ILE . 71.0 p -158.07 151.32 23.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 118.215 1.008 . . . . 0.0 113.603 -178.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CD2' ' HD3' ' B' ' 43' ' ' LYS . 35.4 t80 -126.56 131.45 51.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.298 -1.319 . . . . 0.0 108.057 178.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.588 HG12 ' N ' ' A' ' 67' ' ' THR . 21.9 t -153.57 168.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -177.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.588 ' N ' HG12 ' A' ' 66' ' ' VAL . 77.7 m -119.35 144.88 46.62 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -159.21 150.67 20.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.268 0.556 . . . . 0.0 112.198 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.5 152.91 10.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.28 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.536 HG22 ' HE3' ' C' ' 2' ' ' LYS . 70.2 p -57.19 142.69 41.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.148 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 71' ' ' LYS . 12.1 mptt 57.62 25.3 11.49 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.956 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.459 ' ND1' ' HG3' ' A' ' 87' ' ' LYS . 45.1 m170 -123.8 54.98 1.28 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.748 0.309 . . . . 0.0 110.836 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.828 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 7.8 t80 -166.38 148.38 6.7 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.641 HD12 ' CB ' ' A' ' 18' ' ' GLN . 8.5 tt -166.24 130.43 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-O 121.12 0.486 . . . . 0.0 111.93 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.536 ' HB3' ' HB2' ' A' ' 10' ' ' ASN . 48.2 t80 -113.12 140.98 47.44 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.444 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 2.5 p90 -168.73 138.15 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.15 0.5 . . . . 0.0 111.777 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.504 ' HB2' HG22 ' A' ' 7' ' ' VAL . 9.8 m-85 -79.51 145.84 33.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.742 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.772 HD13 ' HB2' ' A' ' 6' ' ' ALA . 37.2 tp -170.34 139.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 111.587 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.469 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 55.63 43.21 86.12 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.621 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 81' ' ' VAL . 10.2 mm100 54.61 34.67 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.988 0.423 . . . . 0.0 110.704 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.6 m -158.5 131.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.549 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.501 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -69.94 123.32 21.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.563 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.528 HD13 ' HB1' ' A' ' 25' ' ' ALA . 53.7 mt -100.51 149.16 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.582 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.828 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 63.4 tp -142.99 140.79 31.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 42' ' ' ILE . 62.9 tp -150.35 138.94 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.447 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.515 ' HE2' HG11 ' A' ' 66' ' ' VAL . 5.1 p90 -173.14 120.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.685 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -86.06 170.18 12.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.224 0.535 . . . . 0.0 111.6 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.1 t -153.62 130.87 11.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.741 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.295 -1.28 . . . . 0.0 112.46 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtm . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.786 0.327 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 85.1 m -61.38 -44.98 96.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 63.18 133.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.561 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 2.7 tmm_? -177.2 128.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.235 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.561 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 75.4 mmtt -147.82 -132.49 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.134 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' B' ' 78' ' ' LEU . . . 65.6 134.22 0.02 OUTLIER 'General case' 0 C--O 1.233 0.191 0 O-C-N 122.183 -0.323 . . . . 0.0 111.32 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.7 m -97.47 138.29 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.0 111.899 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.859 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -81.94 145.44 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.518 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -129.64 -39.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.448 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.443 HD21 HG21 ' D' ' 6' ' ' ILE . 75.3 m-80 -133.91 53.23 2.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.37 . . . . 0.0 111.227 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.859 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -57.27 137.49 55.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.414 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.0 t70 -175.41 53.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.37 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' B' ' 72' ' ' HIS . 51.2 ttm -168.69 151.97 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.369 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 57.4 m -40.97 139.89 0.82 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.992 0.425 . . . . 0.0 111.896 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.454 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 16.7 pt-20 -51.21 -43.37 61.4 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.77 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.11 -42.59 98.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.109 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 60.7 mtt -64.93 -50.77 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.988 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.847 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.3 pt20 -64.37 -37.64 88.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.514 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -69.39 -41.96 75.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.547 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -68.04 -36.6 80.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.485 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 46.3 t -64.68 -44.0 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 18' ' ' GLN . 59.5 t -63.56 -46.37 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.494 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.19 -45.1 86.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.51 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.75 -35.12 78.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.068 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.883 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.31 -37.64 77.88 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.222 0.535 . . . . 0.0 109.91 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 85.4 m -61.75 -46.02 91.41 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.627 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -58.86 -46.86 86.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.31 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.8 ' HB3' HG23 ' B' ' 38' ' ' ILE . . . -54.78 -41.43 70.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.678 HD23 HD11 ' B' ' 38' ' ' ILE . 36.1 mt -61.85 -48.27 81.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.386 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -66.42 -32.54 73.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.048 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.55 ' HG3' ' CD2' ' B' ' 32' ' ' TYR . 0.1 OUTLIER -87.46 -29.27 21.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.717 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.598 ' CD2' ' NE2' ' B' ' 41' ' ' HIS . 43.7 m-85 -133.08 -49.16 0.86 Allowed 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.45 -0.5 . . . . 0.0 112.293 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.626 ' O ' HD13 ' B' ' 34' ' ' ILE . 49.5 t30 69.45 49.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.823 0.344 . . . . 0.0 111.028 -179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.626 HD13 ' O ' ' B' ' 33' ' ' ASN . 48.0 mm -136.13 134.47 50.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.129 0.49 . . . . 0.0 110.701 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.535 ' CD ' HG12 ' B' ' 58' ' ' VAL . 3.9 mm-40 -54.36 -55.35 29.44 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' B' ' 36' ' ' LYS . 3.3 tmmm? -69.86 -48.87 57.16 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.557 ' OD1' HG21 ' B' ' 34' ' ' ILE . 1.3 m-20 -57.4 -47.42 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 111.633 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.8 HG23 ' HB3' ' B' ' 28' ' ' ALA . 96.9 mt -55.55 -45.96 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.407 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.98 73.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.207 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 65' ' ' TYR . . . -65.7 -48.16 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.086 -179.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.598 ' NE2' ' CD2' ' B' ' 32' ' ' TYR . 13.9 m-70 -61.82 -51.54 67.81 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.447 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.883 HD11 ' HA ' ' B' ' 25' ' ' ALA . 60.8 mt -56.27 -45.4 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.542 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.508 ' HD3' ' CD2' ' A' ' 65' ' ' TYR . 86.9 tttt -58.18 -52.7 64.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.954 -179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -55.99 -44.22 78.39 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.1 -47.85 80.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.621 0.248 . . . . 0.0 111.158 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' B' ' 85' ' ' LEU . 30.7 m-85 -65.19 -43.49 91.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.689 0.281 . . . . 0.0 111.587 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.56 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 61.3 m-20 -56.02 -36.95 68.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 110.717 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 3.3 tmtp? -72.55 -40.11 66.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.167 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -81.96 -62.79 1.53 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.521 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 15.6 m-85 -90.13 -17.25 28.01 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' B' ' 47' ' ' ASP . 57.9 m-20 91.64 142.47 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.37 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.42 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 51.0 Cg_exo -52.95 170.77 0.27 Allowed 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 112.839 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.732 HG22 ' O ' ' B' ' 88' ' ' SER . 11.1 t -119.18 110.75 17.4 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 122.782 0.433 . . . . 0.0 111.328 0.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.741 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 23.0 m95 -86.95 117.99 26.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.232 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -91.12 134.27 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 37.6 t -131.3 149.9 52.37 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.199 -0.6 . . . . 0.0 112.364 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.681 HG23 ' HB3' ' A' ' 64' ' ' SER . 51.8 mt -148.41 149.85 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.106 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.535 HG12 ' CD ' ' B' ' 35' ' ' GLU . 45.6 t -156.35 138.76 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.025 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.48 -135.2 2.56 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.948 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.6 ptt180 -176.5 32.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.592 ' HA ' ' HA ' ' D' ' 9' ' ' ASP . 39.1 t30 167.14 82.56 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.822 0.344 . . . . 0.0 110.368 179.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.623 ' HE2' HG21 ' B' ' 57' ' ' ILE . 6.1 p90 -172.55 134.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.731 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.17 136.64 17.18 Favored Glycine 0 N--CA 1.452 -0.252 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 87.4 p -125.21 150.61 46.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 117.427 0.613 . . . . 0.0 112.259 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.431 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 24.8 t80 -154.31 123.04 6.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.092 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.591 HG12 ' N ' ' B' ' 67' ' ' THR . 59.6 t -158.87 163.68 1.13 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-O 120.81 0.338 . . . . 0.0 111.611 -178.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' B' ' 66' ' ' VAL . 95.2 m -112.27 156.51 22.29 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 22.6 p80 -170.31 143.91 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 111.897 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -62.49 153.58 31.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.62 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 76.1 p -57.72 153.11 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.648 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.588 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.7 mmpt? 64.51 38.84 7.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.756 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 82.7 m-70 -163.35 70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.819 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.701 ' CZ ' HG23 ' D' ' 4' ' ' THR . 2.1 t80 -164.0 126.87 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.312 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.722 ' O ' HD12 ' B' ' 84' ' ' LEU . 9.9 tt -153.76 134.53 4.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 0.0 112.018 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.581 ' OH ' HG22 ' D' ' 8' ' ' VAL . 4.9 t80 -138.97 138.12 37.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.284 179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.814 ' CE2' HG22 ' B' ' 22' ' ' VAL . 1.1 p90 -166.77 138.2 3.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.432 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 40.5 m-85 -78.17 149.59 33.71 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.829 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.581 ' O ' HG22 ' B' ' 81' ' ' VAL . 47.7 tp -170.19 140.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.23 39.52 64.65 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.297 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.409 ' O ' HG13 ' B' ' 81' ' ' VAL . 72.7 mt-30 57.56 38.74 28.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.743 0.306 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.581 HG22 ' O ' ' B' ' 78' ' ' LEU . 27.0 m -157.81 136.0 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.057 0.456 . . . . 0.0 110.987 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.534 ' HB1' ' OH ' ' B' ' 75' ' ' TYR . . . -69.89 140.62 53.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 61.4 mt -127.91 133.8 66.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.607 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.722 HD12 ' O ' ' B' ' 74' ' ' ILE . 61.7 tp -134.85 145.29 48.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 111.209 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' B' ' 46' ' ' PHE . 51.6 tp -159.89 142.97 13.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.558 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.526 ' CZ ' HG11 ' B' ' 66' ' ' VAL . 11.0 p90 -177.77 128.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.741 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -84.64 158.22 20.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 111.366 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.732 ' O ' HG22 ' B' ' 53' ' ' THR . 46.6 t -136.72 135.41 38.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.536 ' HE3' HG22 ' A' ' 70' ' ' THR . 0.8 OUTLIER -101.87 134.56 44.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.533 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.1 p30 -82.01 120.87 25.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.555 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.547 HG22 ' HB ' ' A' ' 66' ' ' VAL . 12.6 t -82.26 146.37 29.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.291 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.613 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -153.31 125.2 1.72 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.336 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.92 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.6 pp -160.43 136.02 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.103 0.478 . . . . 0.0 111.394 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -109.16 73.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.183 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.646 HG23 HD13 ' C' ' 6' ' ' ILE . 47.1 t -69.47 137.31 24.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.861 0.363 . . . . 0.0 111.008 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.799 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.037 -0.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.606 HH12 HD23 ' C' ' 12' ' ' LEU . 41.6 ptt85 -83.24 136.19 34.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.744 0.307 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.55 ' C ' ' H ' ' C' ' 13' ' ' ASP . 55.8 m-20 -87.78 43.71 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.892 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.666 HD21 ' HD2' ' A' ' 60' ' ' ARG . 90.0 mt 68.07 -31.06 0.18 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.115 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . 0.55 ' H ' ' C ' ' C' ' 11' ' ' ASP . 55.9 m-20 60.79 47.08 8.24 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.69 -127.7 34.19 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.432 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' C' ' 15' ' ' LYS . 62.3 tttm -167.3 48.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.458 . . . . 0.0 110.472 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 63.2 m -167.47 -43.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.691 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -65.8 -47.22 75.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.879 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' D' ' 1' ' ' MET . 51.1 ttp . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.982 0.42 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' B' ' 68' ' ' HIS . 46.5 mmtm -158.13 137.28 11.61 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.784 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.535 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 8.3 t0 -117.81 115.46 25.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.813 -179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.701 HG23 ' CZ ' ' B' ' 73' ' ' PHE . 52.1 m -75.59 140.98 42.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.137 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.591 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -159.84 128.37 1.98 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.183 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.892 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -161.46 146.88 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.994 0.426 . . . . 0.0 111.768 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -103.61 87.69 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.318 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.817 HG23 HD13 ' D' ' 6' ' ' ILE . 80.3 t -69.37 140.84 18.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.106 0.479 . . . . 0.0 111.244 -179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.592 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 -169.64 35.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.085 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.569 ' O ' HD23 ' D' ' 12' ' ' LEU . 38.5 ptt180 44.63 51.38 8.15 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.245 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -78.45 44.19 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.749 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.782 HD23 ' H ' ' D' ' 12' ' ' LEU . 2.6 pt? -96.22 35.88 1.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.967 0.413 . . . . 0.0 110.261 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -66.07 131.18 45.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.408 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.3 57.29 4.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.253 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm 65.87 44.19 2.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.985 0.421 . . . . 0.0 110.633 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -178.61 131.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.612 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -49.37 134.4 18.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.36 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 57.5 tptt . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.843 179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -177.25 43.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 179.83 133.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.791 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.687 ' HG3' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -57.16 126.7 28.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.988 -179.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -91.75 23.72 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.411 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.949 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -58.8 124.99 21.65 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.3 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 30.8 m -101.28 138.66 24.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.998 0.428 . . . . 0.0 111.896 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.5 mp -77.67 144.78 10.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.055 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 31.5 mmmt -128.13 -38.17 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.397 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -146.55 53.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.942 0.401 . . . . 0.0 111.028 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.567 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.42 142.0 34.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.472 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -170.65 56.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.066 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.496 ' HE2' ' HA ' ' A' ' 72' ' ' HIS . 50.0 ttm -165.95 161.94 17.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.405 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.439 ' N ' ' HG2' ' A' ' 13' ' ' MET . 54.1 m -49.63 136.26 17.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 12.4 pt-20 -50.51 -44.27 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.503 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 17' ' ' MET . 24.3 pt-20 -59.85 -46.38 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 65.8 mtt -58.83 -44.92 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.687 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.91 ' HG2' HD12 ' A' ' 74' ' ' ILE . 62.5 mt-30 -55.34 -43.49 75.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.25 -43.59 98.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.158 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.44 -38.68 87.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.581 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.1 m -68.75 -45.7 70.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.315 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.87 HG22 ' CE2' ' A' ' 76' ' ' PHE . 47.1 t -67.33 -41.03 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.08 -43.26 78.95 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.387 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.1 t -64.28 -38.93 92.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.578 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.775 ' CB ' HD11 ' A' ' 42' ' ' ILE . . . -67.49 -35.98 80.21 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 84.7 m -60.45 -45.4 93.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.397 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -59.8 -46.65 88.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.399 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 32' ' ' TYR . . . -56.72 -37.08 70.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.02 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.865 ' CD2' HD11 ' A' ' 38' ' ' ILE . 63.6 mt -66.18 -49.54 67.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.05 0.453 . . . . 0.0 111.396 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -72.22 -32.54 66.84 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -88.05 -16.92 32.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.097 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE2' ' NE2' ' A' ' 41' ' ' HIS . 46.7 m-85 -144.81 -36.66 0.31 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 23.0 p30 54.59 50.57 15.69 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.492 ' O ' HG13 ' A' ' 38' ' ' ILE . 66.6 mt -146.46 127.37 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.62 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.92 -47.53 60.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.788 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' HB2' ' HB3' ' D' ' 7' ' ' GLN . 19.4 ttpp -58.32 -55.19 38.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.899 0.381 . . . . 0.0 111.319 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 55.4 m-20 -54.66 -44.85 73.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.536 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.865 HD11 ' CD2' ' A' ' 29' ' ' LEU . 98.7 mt -51.64 -42.51 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.931 0.396 . . . . 0.0 110.978 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.43 -42.3 79.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.693 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.19 89.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.552 ' NE2' ' CE2' ' A' ' 32' ' ' TYR . 64.2 m-70 -68.14 -54.31 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.893 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.775 HD11 ' CB ' ' A' ' 25' ' ' ALA . 65.2 mt -58.59 -42.1 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 0.0 111.44 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -60.6 -52.93 63.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.184 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HE2' ' HA ' ' A' ' 41' ' ' HIS . 64.9 pttt -62.21 -44.3 96.89 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 5.2 mm-40 -55.58 -48.08 75.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.313 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.572 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 28.1 m-85 -71.94 -44.64 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 37.5 m-20 -55.77 -34.64 65.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -83.34 -40.14 19.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -80.17 -60.36 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 3.7 m-85 -85.79 -18.82 31.87 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 64.5 m-20 93.99 144.74 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.478 0 C-N-CA 122.848 0.459 . . . . 0.0 110.138 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 51' ' ' ASN . 38.5 Cg_exo -61.02 169.33 6.12 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 122.469 2.113 . . . . 0.0 112.91 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.9 t -116.99 121.49 41.52 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 0.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.63 ' CD2' ' HB3' ' A' ' 87' ' ' LYS . 25.3 m95 -94.53 127.86 40.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.054 -179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 21.6 m-70 -101.35 136.41 41.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -135.81 148.11 48.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.392 0.615 . . . . 0.0 112.375 -178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.56 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 51.9 mt -148.39 135.15 13.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.848 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 50.6 t -145.11 133.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.919 0.39 . . . . 0.0 110.997 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.89 -132.03 1.82 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.217 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 38.4 ptt180 -179.03 40.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 163.13 82.39 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.231 179.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CZ ' HG22 ' A' ' 57' ' ' ILE . 10.7 p90 -171.87 137.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.357 0.598 . . . . 0.0 112.464 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.504 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -95.64 150.46 19.66 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.648 ' HB3' HG23 ' B' ' 57' ' ' ILE . 70.2 p -166.39 154.89 10.64 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.867 ' CE2' ' HB2' ' B' ' 40' ' ' ALA . 23.4 m-85 -138.11 137.5 37.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.097 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 14.2 t -155.11 159.83 2.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.88 -178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.42 ' N ' HG12 ' A' ' 66' ' ' VAL . 90.3 m -116.93 147.74 41.98 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -165.28 154.43 12.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.21 0.528 . . . . 0.0 112.076 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -59.09 140.02 56.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.104 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.4 HG23 ' N ' ' C' ' 1' ' ' MET . 67.5 p -58.96 150.94 23.09 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.6 37.41 7.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.637 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.496 ' HA ' ' HE2' ' A' ' 13' ' ' MET . 66.4 m80 -155.66 56.34 0.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.629 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 6.8 t80 -160.06 144.81 14.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.912 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.91 HD12 ' HG2' ' A' ' 18' ' ' GLN . 11.1 tt -160.01 129.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.361 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.543 ' OH ' ' HB1' ' A' ' 82' ' ' ALA . 37.8 t80 -125.83 133.7 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.547 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.87 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -165.94 137.35 3.78 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.87 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 64.4 m-85 -73.88 154.69 39.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.277 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.949 HD13 ' HB2' ' A' ' 6' ' ' ALA . 37.6 tp -161.87 132.65 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 111.91 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.41 -65.39 0.26 Allowed Glycine 0 C--N 1.334 0.433 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.067 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.677 ' HB2' HD21 ' C' ' 12' ' ' LEU . 19.0 pt20 179.47 35.67 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.91 0.386 . . . . 0.0 110.102 179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 80' ' ' GLN . 27.8 m -160.85 135.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.752 -179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.87 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -69.96 126.83 30.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.0 mt -106.5 136.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.58 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 60.5 tp -128.13 141.38 51.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.47 HD21 ' CE2' ' A' ' 46' ' ' PHE . 50.0 tp -156.87 138.58 14.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.451 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.514 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 3.6 p90 -178.23 126.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.641 -179.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.63 ' HB3' ' CD2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -96.45 170.14 9.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.18 0.514 . . . . 0.0 111.807 -179.346 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.473 ' N ' ' HD3' ' A' ' 87' ' ' LYS . 39.8 t -148.4 136.74 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.702 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.326 -1.263 . . . . 0.0 112.512 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.436 ' O ' ' HG2' ' B' ' 1' ' ' MET . 51.2 ttp . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 54.1 t -178.34 134.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 62.89 138.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.446 ' HD2' ' N ' ' B' ' 5' ' ' LYS . 3.7 tmm_? -172.63 124.35 0.46 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.546 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 2.8 mptp? -132.86 -121.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.528 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.811 ' HB2' ' CG ' ' B' ' 78' ' ' LEU . . . 68.86 138.36 0.03 OUTLIER 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.959 0.409 . . . . 0.0 111.642 179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 23.0 m -107.62 136.83 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.627 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.884 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -89.66 145.98 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.075 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -135.47 -43.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.976 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.59 ' HB3' ' HB3' ' B' ' 75' ' ' TYR . 22.8 t-20 -114.88 51.76 0.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.021 0.439 . . . . 0.0 110.271 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.884 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -55.06 137.01 47.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.226 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -177.68 52.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.46 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.54 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 52.2 ttm -167.48 148.16 5.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.081 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -42.46 145.52 0.41 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.923 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 24.5 pt-20 -55.28 -44.93 76.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.707 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -65.8 -45.27 83.0 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.54 ' HB2' ' HG2' ' B' ' 13' ' ' MET . 86.5 mtp -62.4 -49.42 75.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.873 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.3 pt20 -64.93 -38.29 90.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.619 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -68.31 -39.98 81.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -67.2 -37.49 83.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.655 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 48.4 t -66.78 -42.43 86.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.033 0.444 . . . . 0.0 110.036 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.905 HG22 ' CE2' ' B' ' 76' ' ' PHE . 51.9 t -63.33 -49.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.471 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.406 ' HA ' ' OE1' ' B' ' 23' ' ' GLU . 5.2 mm-40 -65.43 -42.72 92.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.83 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -61.73 -34.31 75.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.648 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.802 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.02 -38.83 79.43 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.8 m -59.5 -45.69 90.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.19 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -60.91 -39.14 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.836 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -55.88 -45.95 78.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.234 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' B' ' 38' ' ' ILE . 61.6 mt -64.0 -43.89 94.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.001 0.429 . . . . 0.0 111.03 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.54 -33.62 76.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -86.61 -40.8 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.916 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.5 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 3.5 m-85 -112.95 -45.49 3.18 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 66.35 44.91 2.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.964 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.562 ' O ' HG13 ' B' ' 38' ' ' ILE . 56.6 mt -154.12 124.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' B' ' 38' ' ' ILE . 11.9 pt-20 -45.12 -44.76 10.82 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.922 -179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -59.45 -58.21 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.5 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 58.9 m-20 -54.6 -42.51 71.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.238 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.82 HD11 ' CD2' ' B' ' 29' ' ' LEU . 75.9 mt -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.079 0.466 . . . . 0.0 111.061 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' B' ' 43' ' ' LYS . . . -66.61 -23.14 66.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.986 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.867 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . . . -67.67 -64.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.486 -178.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.802 HD11 ' HA ' ' B' ' 25' ' ' ALA . 72.9 mt -60.37 -44.01 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.476 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.51 ' C ' ' HD3' ' B' ' 43' ' ' LYS . 13.2 tmtt? -61.71 -49.81 74.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.986 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.464 ' HE3' ' HA ' ' B' ' 41' ' ' HIS . 20.2 pttp -64.99 -41.37 95.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.411 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.11 -56.68 17.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.601 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 42.3 m-85 -62.93 -43.94 97.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.435 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.6 t0 -54.52 -43.44 71.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -75.79 -45.25 37.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.985 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.23 -69.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.542 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.0 m-30 -72.41 -11.74 60.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.967 -178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.0 m120 90.93 143.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 O-C-N 123.505 0.503 . . . . 0.0 110.456 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.412 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 23.5 Cg_endo -61.64 168.91 7.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.32 2.013 . . . . 0.0 112.29 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.569 HG22 ' O ' ' B' ' 88' ' ' SER . 9.5 t -113.64 130.05 56.46 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 122.892 0.477 . . . . 0.0 110.464 0.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.601 ' CE2' ' HB3' ' B' ' 46' ' ' PHE . 24.7 m95 -103.31 133.74 47.89 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -179.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.49 ' ND1' HG13 ' A' ' 66' ' ' VAL . 23.4 m-70 -111.85 136.32 51.31 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.045 -0.98 . . . . 0.0 108.598 178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 44.3 t -141.78 149.51 40.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.248 0.547 . . . . 0.0 112.295 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 64' ' ' SER . 39.5 mt -148.65 142.35 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.066 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.9 t -149.06 134.67 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.59 -130.08 1.55 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.249 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 23.2 ptt-85 -174.14 35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.705 0.288 . . . . 0.0 111.29 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 168.74 80.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.714 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.523 ' HB3' ' CD2' ' A' ' 62' ' ' PHE . 4.9 p90 -155.89 130.16 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' D' ' 6' ' ' ILE . . . -103.23 139.5 14.48 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 177.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.446 ' HB2' HG12 ' A' ' 57' ' ' ILE . 76.2 p -163.44 163.05 25.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.711 1.255 . . . . 0.0 114.297 -178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' D' ' 4' ' ' THR . 17.8 m-85 -135.5 143.96 46.09 Favored 'General case' 0 C--O 1.231 0.082 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.862 178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.633 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 24.4 t -159.15 161.28 1.62 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.483 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.157 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.796 HG23 ' HG2' ' D' ' 2' ' ' LYS . 81.4 m -109.79 139.22 45.1 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.456 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 31.1 p80 -157.68 136.51 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 111.662 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.417 ' HG3' ' CG ' ' B' ' 72' ' ' HIS . 16.5 pt-20 -57.58 148.87 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.8 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 66.8 p -57.37 148.65 22.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 64.7 35.92 8.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.551 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.417 ' CG ' ' HG3' ' B' ' 69' ' ' GLU . 58.7 m80 -153.83 69.42 0.79 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.732 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.641 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 8.8 t80 -176.42 143.44 0.49 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.03 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.75 HD12 ' HB2' ' B' ' 18' ' ' GLN . 7.8 tt -155.01 131.84 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.282 0.563 . . . . 0.0 112.096 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.59 ' HB3' ' HB3' ' B' ' 10' ' ' ASN . 5.3 t80 -130.82 134.72 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.832 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.905 ' CE2' HG22 ' B' ' 22' ' ' VAL . 2.7 p90 -169.98 135.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.473 -0.491 . . . . 0.0 112.128 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 52.6 m-85 -72.81 149.27 43.75 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.398 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.811 ' CG ' ' HB2' ' B' ' 6' ' ' ALA . 3.5 tt -170.09 138.21 1.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.759 ' N ' HD23 ' B' ' 78' ' ' LEU . . . 55.51 40.38 77.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.315 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 81' ' ' VAL . 14.1 mp0 57.83 36.19 26.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.682 0.277 . . . . 0.0 110.922 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 78' ' ' LEU . 26.8 m -158.39 135.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.994 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.498 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -69.85 136.39 50.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.192 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 56.0 mt -119.42 141.26 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 65.7 tp -140.04 139.92 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.426 HD11 ' HE3' ' B' ' 54' ' ' TRP . 58.3 tp -158.87 140.24 13.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.706 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.641 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.3 p90 -177.55 133.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' B' ' 53' ' ' THR . 63.5 pttt -99.57 142.58 30.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 111.609 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.569 ' O ' HG22 ' B' ' 53' ' ' THR . 46.7 t -111.7 132.07 54.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.609 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.471 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.4 ' N ' HG23 ' A' ' 70' ' ' THR . 1.9 mpt? . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -154.24 129.9 10.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.559 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 12.2 p-10 -81.08 117.46 21.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.838 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.519 HG22 ' HB ' ' A' ' 66' ' ' VAL . 15.3 t -74.97 141.16 44.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.105 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.94 134.19 6.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.4 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -155.87 170.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.12 0.486 . . . . 0.0 111.718 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.504 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 38.9 tt0 -157.84 69.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.31 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 52.7 t -69.43 142.17 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.357 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.798 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.777 -0.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.476 ' NH2' ' CD1' ' A' ' 77' ' ' TYR . 33.1 ptt180 -89.53 -43.13 11.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 111.321 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' C' ' 13' ' ' ASP . 1.5 m-20 58.83 35.56 24.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.827 -179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 80' ' ' GLN . 4.6 mp 67.12 -35.67 0.26 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' C' ' 11' ' ' ASP . 8.2 t70 68.58 -55.49 0.53 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.72 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.97 -125.21 0.83 Allowed Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.404 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' C' ' 15' ' ' LYS . 0.2 OUTLIER -57.41 -38.34 74.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.318 . . . . 0.0 110.818 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.4 p -171.09 134.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . 0.438 ' CD2' ' HE2' ' C' ' 18' ' ' LYS . 24.2 p-80 -54.63 134.92 47.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . 0.469 ' HG3' ' OXT' ' C' ' 18' ' ' LYS . 58.6 pttt . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.459 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.968 0.413 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.796 ' HG2' HG23 ' B' ' 67' ' ' THR . 0.0 OUTLIER -167.0 132.39 2.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.21 179.54 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.2 p-10 -163.95 107.12 0.95 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.316 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.568 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.1 t -70.01 148.92 48.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.984 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.605 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -152.54 129.42 2.76 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.887 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -159.5 134.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.096 0.474 . . . . 0.0 111.792 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' D' ' 7' ' ' GLN . 14.4 pt20 -110.0 73.22 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.462 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.486 HG23 HD13 ' D' ' 6' ' ' ILE . 38.7 t -69.11 131.15 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.512 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 2.6 m-20 -156.73 35.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.412 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.464 ' CZ ' ' CE2' ' B' ' 77' ' ' TYR . 40.2 ttm180 -81.82 123.2 28.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.768 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.539 ' C ' ' H ' ' D' ' 13' ' ' ASP . 38.7 t70 -95.16 33.8 1.49 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.349 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.601 HD12 ' N ' ' D' ' 12' ' ' LEU . 4.8 mp 65.99 -35.37 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.438 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' D' ' 11' ' ' ASP . 35.1 t70 -177.47 143.34 0.36 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.903 0.382 . . . . 0.0 110.899 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.08 -122.03 0.62 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.542 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -46.31 -29.81 1.8 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.701 0.286 . . . . 0.0 111.333 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 48.3 t -157.61 136.89 11.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -56.82 129.58 41.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.97 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . 0.543 ' N ' ' HD2' ' D' ' 18' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.7 mmm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.787 0.327 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.4 m 59.68 44.06 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -178.8 137.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 63.31 142.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -176.61 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.829 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . -49.29 130.27 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.849 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.8 m -95.84 138.49 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.324 179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.826 HG12 ' HB2' ' A' ' 11' ' ' ALA . 9.3 tp -85.64 141.99 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 3.8 mmmp? -120.41 -52.17 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.392 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' ALA . 6.1 m120 -92.45 -60.63 1.78 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.605 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.826 ' HB2' HG12 ' A' ' 8' ' ' ILE . . . 60.35 131.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.041 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 73' ' ' PHE . 36.5 t70 -177.54 56.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.794 0.33 . . . . 0.0 111.435 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.439 ' HB2' ' CE ' ' A' ' 17' ' ' MET . 16.4 ptp -171.54 -177.05 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 m -58.28 140.01 54.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 53.0 mm-40 -52.86 -46.42 67.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.496 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 24.6 pt-20 -69.53 -37.16 77.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.62 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.439 ' CE ' ' HB2' ' A' ' 13' ' ' MET . 38.6 ttp -68.33 -42.33 79.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.923 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.609 ' HB2' HD12 ' A' ' 74' ' ' ILE . 14.7 pt20 -65.21 -41.94 93.98 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.21 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 3.1 pt20 -63.0 -37.98 89.36 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.07 -36.71 80.36 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.916 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.1 t -63.77 -43.48 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.708 HG13 ' HB3' ' A' ' 6' ' ' ALA . 59.3 t -63.45 -46.55 94.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.419 179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.68 -45.83 84.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.149 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.6 m -60.43 -35.04 74.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.29 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.755 ' HB2' HD11 ' A' ' 42' ' ' ILE . . . -68.88 -36.78 78.49 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.198 0.523 . . . . 0.0 109.812 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.3 m -60.91 -48.11 83.3 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.735 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -59.12 -47.43 85.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 179.471 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.599 ' HB2' ' CB ' ' A' ' 41' ' ' HIS . . . -54.34 -36.55 63.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.678 ' CD2' HD11 ' A' ' 38' ' ' ILE . 54.6 mt -63.56 -47.72 80.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.052 0.453 . . . . 0.0 110.641 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.37 -26.25 64.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.093 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 27' ' ' GLN . 26.9 mmmt -90.2 -51.19 5.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.453 0.644 . . . . 0.0 109.979 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' C ' ' H ' ' A' ' 34' ' ' ILE . 8.5 m-85 -137.15 94.61 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.612 179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -70.28 24.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.11 0.481 . . . . 0.0 111.131 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -98.7 136.2 30.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.539 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' OE1' ' HA2' ' A' ' 59' ' ' GLY . 40.6 mt-10 -48.43 -49.22 36.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.824 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.512 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 6.3 ttpm? -60.49 -57.35 13.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.044 -0.526 . . . . 0.0 112.337 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 32' ' ' TYR . 59.8 m-20 -52.07 -42.35 63.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 29' ' ' LEU . 86.5 mt -48.0 -43.96 11.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 110.437 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.611 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -63.16 -30.33 71.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.012 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' B' ' 65' ' ' TYR . . . -65.27 -45.89 82.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.599 ' CB ' ' HB2' ' A' ' 28' ' ' ALA . 27.6 m-70 -63.75 -62.13 1.85 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.755 HD11 ' HB2' ' A' ' 25' ' ' ALA . 64.7 mt -55.12 -42.75 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.312 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 13.3 tmtt? -61.98 -52.35 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 41' ' ' HIS . 64.5 pttt -68.78 -45.41 71.42 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 97.5 mt-10 -53.93 -48.94 69.71 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.516 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 20.9 m-85 -65.99 -44.47 84.76 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.67 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 30.0 m-20 -55.97 -33.97 65.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.444 . . . . 0.0 110.643 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.535 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -77.82 -42.82 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.357 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -76.28 -69.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.549 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 49.8 m-85 -80.75 -14.8 57.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.527 -0.761 . . . . 0.0 113.015 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 4.8 m120 90.08 145.49 0.05 OUTLIER Pre-proline 0 N--CA 1.466 0.349 0 C-N-CA 122.528 0.331 . . . . 0.0 110.115 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -55.83 168.06 1.95 Allowed 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.113 1.875 . . . . 0.0 112.562 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 88' ' ' SER . 11.3 t -113.16 130.87 56.07 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 122.853 0.461 . . . . 0.0 111.23 0.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.522 ' NE1' ' HD3' ' A' ' 87' ' ' LYS . 27.4 m95 -112.28 135.83 52.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.021 0.439 . . . . 0.0 111.469 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . 14.7 m-70 -111.97 150.26 30.81 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.9 t -150.76 150.95 31.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.844 0.831 . . . . 0.0 113.183 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.792 HG23 ' O ' ' B' ' 63' ' ' GLY . 57.1 mt -151.71 136.06 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 114.374 -1.285 . . . . 0.0 109.196 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 HG23 ' A' ' 83' ' ' ILE . 55.1 t -136.26 136.35 49.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.373 . . . . 0.0 111.374 -179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' HA2' ' OE1' ' A' ' 35' ' ' GLU . . . 179.56 -131.75 1.72 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.56 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 37.4 ptt85 -179.84 44.75 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.647 0.26 . . . . 0.0 111.477 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.576 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 162.9 82.99 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.033 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.494 ' HB3' ' HB3' ' B' ' 62' ' ' PHE . 2.2 p90 -166.61 130.47 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.576 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -99.73 136.9 12.94 Favored Glycine 0 CA--C 1.511 -0.195 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.795 ' HB3' HD13 ' B' ' 57' ' ' ILE . 19.9 m -164.54 161.63 21.28 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -178.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CD1' ' HB3' ' B' ' 39' ' ' ALA . 12.9 m-85 -123.14 148.71 45.42 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.84 178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' C' ' 3' ' ' ASP . 43.5 t -157.1 162.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -179.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.537 ' N ' HG12 ' A' ' 66' ' ' VAL . 60.9 m -125.41 140.29 52.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' CG ' ' HB2' ' A' ' 73' ' ' PHE . 33.3 p80 -159.12 147.76 18.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.923 0.392 . . . . 0.0 111.109 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.458 ' HG3' ' ND1' ' A' ' 72' ' ' HIS . 24.3 pt-20 -68.77 147.58 51.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.975 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.0 p -54.06 144.6 18.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.803 0.335 . . . . 0.0 111.375 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.639 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 67.79 34.15 4.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.306 -179.524 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.458 ' ND1' ' HG3' ' A' ' 69' ' ' GLU . 58.4 m80 -155.02 52.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.504 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.791 ' CE1' HD11 ' A' ' 84' ' ' LEU . 43.8 t80 -166.52 144.7 5.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.221 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.696 HG13 HD11 ' A' ' 8' ' ' ILE . 9.2 tt -167.15 139.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 121.305 0.574 . . . . 0.0 112.184 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 82' ' ' ALA . 44.2 t80 -132.25 138.12 47.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.463 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.538 ' HD2' ' HB1' ' A' ' 6' ' ' ALA . 7.5 p90 -167.69 141.55 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.842 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 65.0 m-85 -81.4 151.32 27.98 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.453 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 6' ' ' ALA . 28.9 tp -162.98 134.89 5.18 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.45 -67.88 0.25 Allowed Glycine 0 C--N 1.334 0.451 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.31 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 81' ' ' VAL . 39.1 tt0 -177.81 34.11 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.056 0.455 . . . . 0.0 110.228 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.2 m -163.24 140.05 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.842 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -82.43 125.32 30.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.372 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.632 ' N ' HD12 ' A' ' 83' ' ' ILE . 2.0 mp -105.33 134.05 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.688 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.791 HD11 ' CE1' ' A' ' 73' ' ' PHE . 55.4 tp -119.93 122.2 40.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.479 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.578 ' HB3' HG23 ' A' ' 74' ' ' ILE . 58.8 tp -109.08 141.65 40.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.215 0.531 . . . . 0.0 111.232 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.581 ' HB2' ' HB2' ' A' ' 55' ' ' HIS . 20.4 m-85 -133.83 154.8 50.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.544 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.522 ' HD3' ' NE1' ' A' ' 54' ' ' TRP . 18.0 tptm -152.61 121.36 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.1 178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 53' ' ' THR . 50.7 m -121.8 134.51 54.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.006 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.453 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.812 0.339 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 79.8 m -59.93 -43.96 94.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -158.6 134.24 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.861 ' NH1' HG21 ' B' ' 26' ' ' THR . 7.2 tpm_? -61.07 121.7 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.462 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' B' ' 6' ' ' ALA . 75.1 mmtt -63.2 -132.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.673 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.658 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 65.48 126.4 0.02 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.785 0.326 . . . . 0.0 111.259 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' B' ' 77' ' ' TYR . 27.2 m -84.45 139.69 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.869 0.366 . . . . 0.0 111.009 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' B' ' 11' ' ' ALA . 18.5 mt -113.88 143.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.124 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -137.37 9.66 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.839 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.463 ' HB2' ' HB3' ' B' ' 75' ' ' TYR . 75.4 m-20 -162.17 42.34 0.13 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.293 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -66.86 134.58 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.726 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -175.52 69.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.714 0.292 . . . . 0.0 111.474 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.899 ' O ' ' HB2' ' B' ' 17' ' ' MET . 23.6 ptm -176.37 54.92 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.738 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' B' ' 18' ' ' GLN . 33.5 t 62.75 135.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.891 0.377 . . . . 0.0 110.986 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.442 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 16.4 pt-20 -54.0 -46.1 71.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.088 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -64.97 -44.97 87.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.428 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.899 ' HB2' ' O ' ' B' ' 13' ' ' MET . 66.4 mtt -63.25 -50.99 68.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.869 ' HB2' HD12 ' B' ' 74' ' ' ILE . 18.3 pt20 -61.89 -40.58 95.9 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.852 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -68.98 -37.75 78.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.825 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -64.87 -36.89 85.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.696 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.4 p -67.36 -44.33 79.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.968 0.413 . . . . 0.0 110.073 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.85 HG22 ' CE2' ' B' ' 76' ' ' PHE . 47.8 t -64.49 -45.96 94.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.365 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -66.32 -43.76 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.145 179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.57 -35.91 82.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.963 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.901 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -67.34 -37.62 83.57 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.275 0.559 . . . . 0.0 109.99 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.861 HG21 ' NH1' ' B' ' 4' ' ' ARG . 95.5 m -63.34 -45.66 90.22 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.554 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -57.43 -44.49 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.445 ' CB ' ' HA ' ' B' ' 38' ' ' ILE . . . -58.2 -43.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.713 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 1.055 HD21 HD11 ' B' ' 38' ' ' ILE . 43.8 mt -56.91 -43.31 81.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.922 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.16 -31.29 71.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.108 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.447 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 68.1 mttm -78.01 -37.59 46.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' B' ' 33' ' ' ASN . 66.7 m-85 -130.3 -49.19 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.652 -179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.853 ' C ' HD12 ' B' ' 34' ' ' ILE . 50.1 t30 79.03 43.62 0.07 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.375 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.853 HD12 ' C ' ' B' ' 33' ' ' ASN . 3.0 mp -140.21 132.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.444 ' CB ' HG12 ' B' ' 58' ' ' VAL . 13.5 pm0 -46.3 -38.29 8.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.412 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.639 ' H ' HG22 ' B' ' 34' ' ' ILE . 18.1 ttpp -63.99 -54.31 36.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.203 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 59.9 m-20 -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.699 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 1.055 HD11 HD21 ' B' ' 29' ' ' LEU . 71.1 mt -48.43 -40.5 10.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.017 0.437 . . . . 0.0 110.649 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.626 ' HB3' ' CD1' ' A' ' 65' ' ' TYR . . . -67.57 -36.72 81.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.21 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.31 -53.81 53.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.728 0.299 . . . . 0.0 111.303 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.447 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 78.5 m-70 -60.49 -57.41 12.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.986 0.422 . . . . 0.0 111.532 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.901 HD11 ' HB2' ' B' ' 25' ' ' ALA . 63.9 mt -56.14 -41.01 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.068 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.543 ' HZ2' ' HB3' ' B' ' 43' ' ' LYS . 6.6 ttpm? -59.36 -56.49 21.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.28 -45.69 90.26 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.1 mm-40 -53.61 -46.48 70.42 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.53 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 39.0 m-85 -80.35 -44.36 19.61 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -60.05 -36.66 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.884 0.374 . . . . 0.0 110.997 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -81.49 -40.31 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -79.29 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.712 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.509 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.7 m-85 -84.28 -16.21 43.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 60.7 m-20 92.22 142.78 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.341 0 C-N-CA 122.725 0.41 . . . . 0.0 110.105 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.446 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 19.3 Cg_endo -58.72 171.76 1.86 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.394 2.063 . . . . 0.0 112.737 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.667 HG22 ' O ' ' B' ' 88' ' ' SER . 12.8 t -116.19 113.79 23.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.751 0.42 . . . . 0.0 111.109 0.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.649 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 17.2 m95 -91.25 129.02 37.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.254 0.55 . . . . 0.0 112.302 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.478 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 59.8 m-70 -103.01 133.12 48.66 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.452 ' O ' HD13 ' B' ' 57' ' ' ILE . 50.2 t -127.32 138.77 53.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.09 0.472 . . . . 0.0 112.037 -178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.795 HD13 ' HB3' ' A' ' 64' ' ' SER . 29.9 mm -131.4 139.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.739 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.447 HG11 HD12 ' B' ' 38' ' ' ILE . 45.3 t -153.87 133.54 3.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.939 0.399 . . . . 0.0 111.592 -179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' B' ' 60' ' ' ARG . . . 170.48 -145.24 8.93 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.66 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.523 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 17.7 mmm180 -162.29 36.99 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 0.9 OUTLIER 170.56 79.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.742 ' CZ ' HG21 ' D' ' 8' ' ' VAL . 21.2 p90 -168.56 133.7 1.69 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.187 0.517 . . . . 0.0 112.281 -179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.792 ' O ' HG23 ' A' ' 57' ' ' ILE . . . -80.14 131.65 10.7 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 52.7 m -115.16 137.32 52.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.611 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 2.6 t80 -151.55 117.15 5.39 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.616 HG12 ' N ' ' B' ' 67' ' ' THR . 25.5 t -156.48 170.14 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.331 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.616 ' N ' HG12 ' B' ' 66' ' ' VAL . 92.0 m -124.42 141.98 51.66 Favored 'General case' 0 C--N 1.333 -0.114 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' B' ' 73' ' ' PHE . 30.3 p80 -162.41 151.72 15.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.927 0.394 . . . . 0.0 111.871 -177.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -60.52 148.13 38.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.007 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.748 HG23 ' N ' ' D' ' 1' ' ' MET . 74.6 p -62.39 154.24 28.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.053 0.454 . . . . 0.0 111.668 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.727 ' HA ' ' HE3' ' B' ' 71' ' ' LYS . 0.0 OUTLIER 66.15 38.75 4.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.817 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 86.7 m-70 -163.42 69.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.833 179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' B' ' 84' ' ' LEU . 8.3 t80 -169.93 142.31 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.869 HD12 ' HB2' ' B' ' 18' ' ' GLN . 6.8 tt -159.63 140.73 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.255 0.55 . . . . 0.0 112.322 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.539 ' CE1' ' HB1' ' B' ' 82' ' ' ALA . 45.5 t80 -134.17 135.41 43.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.362 -0.836 . . . . 0.0 108.939 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.85 ' CE2' HG22 ' B' ' 22' ' ' VAL . 9.8 p90 -166.52 140.28 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.97 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.741 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 58.9 m-85 -88.96 148.64 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.264 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.658 HD13 ' HB2' ' B' ' 6' ' ' ALA . 22.3 tp -159.62 134.96 8.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 111.618 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.59 -65.3 0.28 Allowed Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.939 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.439 ' O ' HG13 ' B' ' 81' ' ' VAL . 26.0 pt20 178.1 36.07 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.935 0.398 . . . . 0.0 110.332 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.439 HG13 ' O ' ' B' ' 80' ' ' GLN . 26.8 m -159.61 137.12 2.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.097 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.741 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -77.37 143.52 38.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.647 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.488 ' N ' HD12 ' B' ' 83' ' ' ILE . 4.3 mp -126.5 138.74 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.181 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.863 HD11 ' CZ ' ' B' ' 73' ' ' PHE . 46.6 tp -135.6 145.95 47.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.479 HD22 ' CG2' ' B' ' 42' ' ' ILE . 61.9 tp -157.26 145.41 19.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.329 . . . . 0.0 111.352 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.572 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 14.2 p90 -178.17 130.13 0.13 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.649 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 22.3 ptmt -89.4 145.56 25.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.913 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.667 ' O ' HG22 ' B' ' 53' ' ' THR . 47.9 t -115.25 120.83 40.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.677 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.459 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.464 ' SD ' HG22 ' A' ' 67' ' ' THR . 20.7 ptp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' C' ' 2' ' ' LYS . 11.9 mptt -99.38 135.79 40.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.549 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 1.1 m-20 -74.34 121.98 22.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.221 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.454 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 11.2 t -86.8 136.25 33.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.761 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.18 136.89 11.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.21 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 48.6 pt -147.88 167.54 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.132 0.492 . . . . 0.0 111.631 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.576 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 23.0 pt20 -160.49 69.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.475 HG21 ' OH ' ' A' ' 75' ' ' TYR . 50.0 t -71.47 141.41 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.793 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.473 ' CZ ' ' CZ ' ' A' ' 77' ' ' TYR . 13.9 ptp180 -91.07 -41.91 10.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.805 0.336 . . . . 0.0 111.357 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' C' ' 13' ' ' ASP . 15.1 m-20 64.54 39.38 6.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.43 HD11 ' HG2' ' A' ' 80' ' ' GLN . 82.0 mt 67.29 -17.52 0.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.485 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' C' ' 11' ' ' ASP . 26.0 m-20 64.05 133.69 0.02 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.853 0.358 . . . . 0.0 110.905 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.58 -47.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.469 ' HB3' ' NZ ' ' C' ' 15' ' ' LYS . 3.5 mmmp? -60.52 -40.25 90.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 110.665 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 44.4 m -165.63 134.25 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.553 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -58.49 135.29 57.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.037 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.729 179.893 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.748 ' N ' HG23 ' B' ' 70' ' ' THR . 57.4 ttp . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.722 0.296 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -155.15 136.79 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.108 0.48 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.559 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 12.3 p-10 -70.98 125.56 27.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.688 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.475 HG22 ' HB ' ' B' ' 66' ' ' VAL . 8.9 t -74.44 139.51 44.01 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.514 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.443 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -138.33 117.66 1.48 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.073 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.443 HG23 ' O ' ' D' ' 5' ' ' GLY . 45.3 pt -161.16 170.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.36 . . . . 0.0 110.725 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -144.37 111.8 6.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.794 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.742 HG21 ' CZ ' ' B' ' 62' ' ' PHE . 60.1 t -81.8 140.53 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.003 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -157.74 132.84 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.579 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -60.65 129.6 42.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.815 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.427 ' HA ' ' HE2' ' D' ' 18' ' ' LYS . 54.9 m-20 -161.54 38.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 78.3 mt -84.72 47.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -159.73 45.69 0.25 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.05 -130.42 32.89 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.611 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.501 ' HB3' ' NZ ' ' D' ' 15' ' ' LYS . 8.4 mtpm? -155.83 143.53 19.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.707 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' D' ' 17' ' ' HIS . 48.9 m 65.52 47.75 2.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.643 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . 0.433 ' CG ' ' O ' ' D' ' 16' ' ' SER . 92.6 m-70 -160.13 -41.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.736 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' D' ' 11' ' ' ASP . 7.9 ptpp? . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.078 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.702 0.287 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 p -178.27 44.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.962 0.411 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 59.69 44.96 13.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 36.3 mmt180 57.61 43.82 21.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.012 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 22.2 tptm 72.35 -39.18 0.44 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.651 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 78' ' ' LEU . . . -52.79 129.57 30.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.723 0.296 . . . . 0.0 111.567 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 29.7 m -98.38 136.75 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.084 0.468 . . . . 0.0 111.657 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -87.92 127.95 40.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.738 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.517 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 31.5 mmmt -81.22 -33.7 32.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.478 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 75.6 m-80 -155.16 -48.55 0.08 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.771 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . 64.12 145.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.359 . . . . 0.0 110.826 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 33.7 t70 -169.55 62.68 0.05 Allowed 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.069 0.461 . . . . 0.0 110.913 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.4 ptp -174.82 166.77 3.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 t -41.24 140.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.594 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 55.8 mt-10 -52.53 -48.21 66.22 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.351 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.3 -39.04 93.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.6 ttm -59.69 -51.67 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.309 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.76 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.9 pt20 -60.72 -39.07 87.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.818 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.67 -44.1 87.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.578 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' OD2' ' CZ ' ' A' ' 46' ' ' PHE . 38.1 t70 -60.79 -37.98 83.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.628 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.3 m -66.43 -42.54 87.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.962 0.41 . . . . 0.0 109.997 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.951 HG22 ' CE2' ' A' ' 76' ' ' PHE . 43.8 t -64.4 -45.91 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.211 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -64.51 -48.08 76.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.281 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.9 m -65.51 -34.61 78.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.356 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.928 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.76 -37.49 73.39 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.163 0.506 . . . . 0.0 109.769 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.9 m -65.09 -50.2 67.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.448 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 10.7 mm100 -59.29 -36.34 75.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.845 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.826 ' CB ' HG23 ' A' ' 38' ' ' ILE . . . -58.48 -48.74 79.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.004 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.34 -46.76 87.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.531 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 27' ' ' GLN . 11.3 pt-20 -66.66 -28.21 68.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.206 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' NZ ' ' HB3' ' A' ' 31' ' ' LYS . 9.0 mtpm? -85.67 -41.53 15.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.805 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -118.42 -46.39 2.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.84 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 66.9 49.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.993 0.425 . . . . 0.0 110.35 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.591 ' O ' HG12 ' A' ' 38' ' ' ILE . 55.5 mt -149.49 114.07 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -41.74 -44.54 3.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.26 -179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -64.11 -57.41 9.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 0.0 111.413 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.4 m-20 -59.44 -45.71 90.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.332 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.826 HG23 ' CB ' ' A' ' 28' ' ' ALA . 4.7 mm -50.73 -53.23 14.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.855 0.36 . . . . 0.0 111.245 -179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.739 ' HB1' ' HB3' ' A' ' 56' ' ' CYS . . . -63.79 -26.16 68.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.765 ' HB2' ' CE2' ' B' ' 65' ' ' TYR . . . -64.25 -57.76 8.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.823 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.613 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -64.05 -46.48 84.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.858 -179.339 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.928 HD11 ' HA ' ' A' ' 25' ' ' ALA . 64.7 mt -60.31 -37.62 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.11 -52.99 62.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.349 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -70.19 -43.0 71.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.904 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.61 -52.91 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.519 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 42' ' ' ILE . 8.1 m-85 -71.48 -44.57 64.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.044 0.449 . . . . 0.0 110.639 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 52' ' ' PRO . 8.7 t0 -54.03 -35.99 62.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.587 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 4.5 tmtt? -73.89 -49.68 23.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.352 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -73.73 -70.01 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.296 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 5.8 m-30 -68.77 -15.88 63.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.866 -178.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 66.0 m-20 95.37 145.38 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.431 0 C-N-CA 122.866 0.466 . . . . 0.0 111.095 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.447 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . 20.5 Cg_endo -61.2 163.16 17.74 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 122.689 2.259 . . . . 0.0 112.432 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 15.3 t -120.41 130.47 54.37 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.132 0.573 . . . . 0.0 110.366 0.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m95 -97.56 128.83 44.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 32.9 m-70 -95.37 129.84 42.37 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.685 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.739 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 73.4 m -124.75 142.72 51.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.406 0.622 . . . . 0.0 112.451 -178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.547 HD12 HD23 ' A' ' 84' ' ' LEU . 51.9 mt -150.37 133.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.4 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 83' ' ' ILE . 40.3 t -153.6 140.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.857 0.361 . . . . 0.0 111.002 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.81 -135.92 3.4 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.702 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.586 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 76.8 mtp180 -159.74 36.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.586 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 1.0 OUTLIER 162.05 84.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' C' ' 8' ' ' VAL . 3.6 p90 -155.33 129.22 8.66 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.07 135.43 12.43 Favored Glycine 0 N--CA 1.451 -0.332 0 N-CA-C 109.779 -1.329 . . . . 0.0 109.779 177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.1 t -154.36 154.1 32.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.187 0.994 . . . . 0.0 113.676 -178.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -137.93 129.74 28.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 114.199 -1.364 . . . . 0.0 108.167 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' O ' ' N ' ' C' ' 4' ' ' THR . 15.8 t -153.73 162.3 2.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.4 m -108.24 153.4 23.26 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.51 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 23.7 p80 -168.11 145.52 4.2 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.055 0.455 . . . . 0.0 112.185 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HB3' ' ND1' ' A' ' 72' ' ' HIS . 17.3 tp10 -56.8 158.92 4.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.381 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.539 HG23 ' N ' ' C' ' 1' ' ' MET . 69.4 p -56.15 150.39 14.19 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.264 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 61.66 22.97 13.37 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.799 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 86' ' ' PHE . 53.8 m170 -126.45 67.35 1.23 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.344 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.639 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.6 t80 -160.85 132.52 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 111.216 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.797 ' O ' HD12 ' A' ' 84' ' ' LEU . 11.2 tt -162.64 140.41 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 9' ' ' LYS . 38.0 t80 -152.52 136.2 16.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.676 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.951 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.0 p90 -168.99 140.85 2.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.967 0.413 . . . . 0.0 111.902 -178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.759 ' CE2' ' HB2' ' A' ' 82' ' ' ALA . 7.3 m-85 -87.1 158.8 19.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.106 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 24.5 tp -165.2 133.97 3.34 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 111.668 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' H ' HD12 ' A' ' 78' ' ' LEU . . . 67.55 -65.31 0.28 Allowed Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.094 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 81' ' ' VAL . 26.0 pt20 179.4 35.96 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.837 0.351 . . . . 0.0 110.265 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 80' ' ' GLN . 31.5 m -158.41 136.35 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.96 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.759 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . . . -85.75 128.03 34.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.601 ' N ' HD12 ' A' ' 83' ' ' ILE . 3.4 mp -110.04 136.39 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.655 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 74' ' ' ILE . 64.3 tp -127.57 143.94 51.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.771 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 74' ' ' ILE . 53.0 tp -155.19 142.26 19.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.053 0.454 . . . . 0.0 111.094 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 72' ' ' HIS . 3.3 p90 -176.05 124.62 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.052 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 21.8 ptmt -94.12 170.61 9.4 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 0.0 111.85 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.1 m -151.81 133.56 14.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.607 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.509 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.881 0.372 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 78.8 m -153.97 135.17 14.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -60.58 137.63 58.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 1.4 mpp_? 60.04 45.87 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -58.5 -34.07 70.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.704 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -45.44 132.69 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.782 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 22.4 m -100.23 137.05 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.989 0.424 . . . . 0.0 111.63 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.889 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -84.34 141.5 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.963 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -128.54 -38.85 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.461 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -132.09 56.62 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 111.17 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -60.04 128.41 36.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.77 60.93 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.132 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 53.2 ttm -177.97 158.14 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 -179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 38.0 t -46.97 140.75 4.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.442 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.482 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 50.5 mt-10 -52.4 -44.65 65.47 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.863 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.487 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 12.5 pt-20 -59.29 -44.98 92.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.676 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.76 -46.15 83.4 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.294 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.853 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.7 pt20 -65.61 -36.69 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.517 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.487 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 18.5 pt20 -71.68 -39.13 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.838 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -69.83 -36.97 76.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.719 0.295 . . . . 0.0 110.694 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 54.4 m -67.82 -42.61 81.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.923 0.392 . . . . 0.0 110.199 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 18' ' ' GLN . 64.8 t -65.44 -46.87 88.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.492 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.1 -42.46 84.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.955 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 50.9 t -63.27 -35.36 80.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.614 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.813 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -68.39 -37.66 80.6 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.794 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -60.66 -45.72 93.06 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.197 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.428 ' HA ' ' HG2' ' B' ' 30' ' ' GLU . 99.4 mm-40 -60.35 -40.82 92.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.177 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.567 ' HB2' ' NE2' ' B' ' 41' ' ' HIS . . . -57.13 -43.38 82.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.179 179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.868 ' CD2' HD11 ' B' ' 38' ' ' ILE . 49.3 mt -62.56 -48.36 79.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.597 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' B' ' 27' ' ' GLN . 10.9 pt-20 -65.23 -29.06 69.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.746 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.485 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 21.8 ptmt -89.41 -37.99 14.42 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.435 ' CD2' ' HG3' ' B' ' 31' ' ' LYS . 42.4 m-85 -111.37 -43.75 3.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 67.19 41.06 2.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.39 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.534 ' O ' HG13 ' B' ' 38' ' ' ILE . 57.3 mt -151.26 124.14 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.58 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' B' ' 38' ' ' ILE . 10.0 pt-20 -48.85 -46.86 42.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.186 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.43 ' HD2' ' O ' ' B' ' 36' ' ' LYS . 0.1 OUTLIER -60.95 -48.93 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.694 0.283 . . . . 0.0 110.93 -179.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -56.68 -41.96 78.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 111.202 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.868 HD11 ' CD2' ' B' ' 29' ' ' LEU . 64.9 mt -54.38 -54.7 19.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.244 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -65.55 -28.19 68.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.386 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.46 -64.16 0.91 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.567 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -63.75 -45.32 90.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.592 -178.688 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.813 HD11 ' HA ' ' B' ' 25' ' ' ALA . 83.3 mt -59.75 -43.32 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.225 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.502 ' C ' ' HD3' ' B' ' 43' ' ' LYS . 5.8 tmtm? -57.83 -51.96 67.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.774 0.321 . . . . 0.0 110.514 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.374 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.54 -53.47 57.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.021 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.425 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 9.6 m-85 -70.15 -42.49 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.057 0.456 . . . . 0.0 110.825 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.434 ' HA ' ' CD1' ' B' ' 54' ' ' TRP . 8.8 t0 -55.03 -41.83 71.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.937 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -77.03 -46.95 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.008 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -73.51 -62.35 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.479 0.657 . . . . 0.0 112.137 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 3.4 m-85 -77.39 -15.71 59.23 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.991 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.8 m-20 93.53 143.18 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.405 0 C-N-CA 122.93 0.492 . . . . 0.0 110.656 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.427 ' HB3' ' OD2' ' B' ' 47' ' ' ASP . 30.8 Cg_endo -63.85 167.07 14.53 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 122.48 2.12 . . . . 0.0 112.653 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.514 HG23 ' CE1' ' B' ' 55' ' ' HIS . 12.3 t -116.08 127.02 54.52 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.84 0.456 . . . . 0.0 110.643 -0.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 28.7 m95 -99.21 130.96 45.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.213 0.53 . . . . 0.0 112.255 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.514 ' CE1' HG23 ' B' ' 53' ' ' THR . 15.7 m-70 -110.59 133.6 53.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.839 179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.406 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 49.3 t -134.43 153.53 51.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.415 0.626 . . . . 0.0 112.624 -178.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.523 HG22 ' CZ ' ' B' ' 62' ' ' PHE . 55.7 mt -149.55 143.41 18.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.169 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -155.25 136.35 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.964 0.411 . . . . 0.0 111.271 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.42 -132.21 1.81 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.019 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 24.1 ptt-85 -177.78 36.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 111.52 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 166.13 80.75 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.99 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 62' ' ' PHE . 11.1 p90 -173.38 141.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.383 0.611 . . . . 0.0 112.435 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -106.27 141.12 15.41 Favored Glycine 0 C--N 1.329 0.148 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.48 ' HB2' HG12 ' A' ' 57' ' ' ILE . 66.5 p -156.62 153.76 29.09 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.765 ' CE2' ' HB2' ' A' ' 40' ' ' ALA . 28.8 m-85 -127.18 143.35 51.28 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.696 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.665 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 38.2 t -157.21 162.92 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 CA-C-O 120.474 0.178 . . . . 0.0 111.297 -178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.789 HG23 ' HG2' ' D' ' 2' ' ' LYS . 51.6 m -111.37 142.58 43.43 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.464 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 29.3 p80 -157.91 135.34 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.118 0.485 . . . . 0.0 111.89 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -55.41 144.51 25.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.192 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 25.1 p -53.08 146.88 10.51 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.954 0.407 . . . . 0.0 111.556 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm 64.27 37.18 8.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.585 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 67.2 m80 -157.51 69.34 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.814 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.677 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 37.0 t80 -163.97 138.53 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.519 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.66 HD12 ' CB ' ' B' ' 18' ' ' GLN . 11.3 tt -158.66 135.95 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.312 0.577 . . . . 0.0 112.036 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.428 ' HD2' HD13 ' B' ' 84' ' ' LEU . 4.6 t80 -137.72 134.09 34.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.087 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.846 ' CE2' HG22 ' B' ' 22' ' ' VAL . 9.0 p90 -165.87 143.24 5.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.141 0.496 . . . . 0.0 112.053 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 6.1 m-85 -76.65 145.99 38.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.979 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.734 HD13 ' HB2' ' B' ' 6' ' ' ALA . 36.2 tp -168.59 141.29 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.834 0.349 . . . . 0.0 110.95 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.424 ' O ' ' CG ' ' B' ' 80' ' ' GLN . . . 53.71 46.59 66.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.837 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.428 ' HB2' ' CD2' ' D' ' 12' ' ' LEU . 17.5 pt20 47.34 39.55 9.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 78' ' ' LEU . 35.3 m -159.28 137.28 2.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.625 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.08 138.23 51.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.097 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 78' ' ' LEU . 53.6 mt -126.97 139.27 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.641 HD11 ' HE1' ' B' ' 73' ' ' PHE . 59.1 tp -136.44 142.55 43.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.736 -179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 74' ' ' ILE . 61.0 tp -157.41 144.27 18.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.888 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.677 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 10.3 p90 179.63 134.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.562 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 21.3 ptmt -97.08 170.4 9.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.117 0.484 . . . . 0.0 111.356 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 52.2 m -148.36 136.12 20.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.457 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.539 ' N ' HG23 ' A' ' 70' ' ' THR . 12.3 tmm? . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 68' ' ' HIS . 33.9 mmtp -157.14 135.53 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.478 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.4 p-10 -93.33 115.63 28.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.594 -178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.51 ' N ' ' O ' ' A' ' 66' ' ' VAL . 54.2 m -69.86 139.94 53.13 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.55 177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.656 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -152.57 122.35 1.29 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.834 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.872 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.6 pp -161.47 138.54 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.295 0.569 . . . . 0.0 111.98 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 22.2 pt20 -109.1 74.84 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.402 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.788 HG23 HD13 ' C' ' 6' ' ' ILE . 41.6 t -69.13 136.71 25.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.148 0.499 . . . . 0.0 111.343 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.796 ' N ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.602 -0.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 58.6 ttp85 -65.8 131.29 45.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.028 0.442 . . . . 0.0 111.338 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -160.42 41.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.815 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 mt -82.78 40.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.511 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' C' ' 13' ' ' ASP . 9.8 t70 -83.88 57.61 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.004 0.431 . . . . 0.0 110.391 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.04 -135.25 29.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.325 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' C' ' 15' ' ' LYS . 1.7 tpmt? -73.97 58.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 111.181 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 47.9 t 61.81 141.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.984 0.421 . . . . 0.0 111.304 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -174.56 -45.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.733 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.858 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.749 0.309 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.789 ' HG2' HG23 ' B' ' 67' ' ' THR . 0.0 OUTLIER -170.21 131.59 0.99 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.397 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.665 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 12.3 p-10 -164.42 111.59 1.06 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.596 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.556 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.5 t -74.76 144.02 43.8 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.288 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.633 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -144.82 129.66 3.61 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.099 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.851 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.4 pp -160.84 143.41 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.296 0.569 . . . . 0.0 112.254 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.487 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 53.0 tt0 -122.61 116.31 23.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.465 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 54.5 t -103.74 143.85 15.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.966 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 7.5 t0 -173.46 102.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.633 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 179.6 135.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' D' ' 13' ' ' ASP . 1.5 m-20 -85.94 43.94 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.416 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.546 HD12 ' N ' ' D' ' 12' ' ' LEU . 4.5 mp 67.49 -34.7 0.24 Allowed 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.162 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' D' ' 11' ' ' ASP . 28.5 m-20 62.44 132.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.96 0.41 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.86 -141.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.707 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -68.95 -42.8 76.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 53.0 m -56.29 129.56 40.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.074 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -63.5 138.84 58.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' D' ' 18' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.33 -0.843 . . . . 0.0 111.479 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.75 0.31 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.7 m -153.92 134.21 13.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.744 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.11 133.88 56.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.697 ' HD2' ' O ' ' A' ' 4' ' ' ARG . 4.0 ppt_? -58.45 142.89 47.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.172 0.51 . . . . 0.0 111.406 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -66.22 -128.75 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.849 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.053 ' HB2' HD22 ' A' ' 78' ' ' LEU . . . 65.54 124.57 0.02 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.73 0.3 . . . . 0.0 111.38 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.1 m -104.25 136.85 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.969 0.414 . . . . 0.0 111.775 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.801 HG21 ' HB2' ' A' ' 11' ' ' ALA . 1.5 mp -85.28 140.58 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.851 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -124.92 -33.86 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.402 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -138.66 58.85 1.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.989 0.423 . . . . 0.0 111.326 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.801 ' HB2' HG21 ' A' ' 8' ' ' ILE . . . -55.11 140.42 38.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -175.53 59.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.424 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.0 ttm -177.47 157.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.692 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.3 t -46.32 140.99 3.73 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.267 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 50.5 mt-10 -53.5 -45.14 69.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.862 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' HA ' ' HG2' ' A' ' 19' ' ' GLN . 12.5 pt-20 -62.95 -40.71 98.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.544 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.8 mtt -65.07 -46.05 82.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.741 0.305 . . . . 0.0 111.308 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.745 ' O ' HG23 ' A' ' 22' ' ' VAL . 15.6 pt20 -64.96 -38.34 90.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.539 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 16' ' ' GLU . 18.6 pt20 -70.19 -38.72 75.41 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.342 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.57 -39.83 95.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.758 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.5 m -66.08 -45.01 82.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.91 0.386 . . . . 0.0 110.165 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.991 HG22 ' CE2' ' A' ' 76' ' ' PHE . 47.0 t -63.04 -45.83 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.533 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -66.42 -45.56 79.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.498 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.3 m -65.3 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.041 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.87 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.64 -40.41 73.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.227 0.537 . . . . 0.0 109.683 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.4 m -60.42 -48.4 81.93 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.293 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -59.71 -36.86 77.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.705 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.614 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -58.58 -41.64 86.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.962 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.772 ' CD2' HD11 ' A' ' 38' ' ' ILE . 51.3 mt -65.56 -45.96 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.997 0.427 . . . . 0.0 110.982 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.83 -34.34 77.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.261 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -87.86 -38.33 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.961 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.462 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 2.6 m-85 -109.93 -46.86 3.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.758 0.313 . . . . 0.0 111.666 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.4 t30 64.8 42.93 4.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.102 0.477 . . . . 0.0 110.606 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.573 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.3 mt -152.82 116.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.116 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 38' ' ' ILE . 54.4 mt-10 -43.95 -46.56 8.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.081 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HD3' ' NE2' ' D' ' 7' ' ' GLN . 17.6 ttpp -57.73 -53.82 53.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.787 0.327 . . . . 0.0 111.504 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 59.6 m-20 -59.66 -40.27 87.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.935 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.772 HD11 ' CD2' ' A' ' 29' ' ' LEU . 72.5 mt -48.11 -52.2 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.127 0.489 . . . . 0.0 110.882 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.659 ' HB1' ' CB ' ' A' ' 56' ' ' CYS . . . -68.2 -30.57 69.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.214 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 -59.88 4.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 111.931 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.614 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -66.13 -46.97 75.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.167 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.87 HD11 ' HA ' ' A' ' 25' ' ' ALA . 54.0 mt -59.49 -38.82 77.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.011 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 39' ' ' ALA . 25.4 ttpp -60.23 -56.14 25.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.742 0.306 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.76 -42.16 99.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.83 -49.09 71.9 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CE1' HG23 ' A' ' 42' ' ' ILE . 6.0 m-85 -68.22 -42.18 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 1.0 OUTLIER -58.86 -38.13 78.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.027 0.442 . . . . 0.0 110.706 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.503 ' O ' ' HD3' ' A' ' 48' ' ' LYS . 3.3 tmtp? -69.19 -46.8 66.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.392 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -80.68 -70.1 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 6.6 m-30 -71.64 -14.45 62.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.93 143.05 0.04 OUTLIER Pre-proline 0 N--CA 1.47 0.552 0 C-N-CA 122.852 0.461 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 55.7 Cg_endo -69.62 169.24 19.2 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.55 2.167 . . . . 0.0 113.061 -179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.662 ' OG1' HG21 ' B' ' 67' ' ' THR . 14.8 t -115.7 126.47 54.14 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.582 0.353 . . . . 0.0 111.053 0.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.627 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 25.2 m95 -95.52 133.06 39.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 112.39 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' O ' HD12 ' A' ' 85' ' ' LEU . 52.3 m-70 -101.38 126.76 48.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.802 178.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.787 ' C ' HD12 ' A' ' 57' ' ' ILE . 73.6 m -117.77 142.19 47.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.219 0.533 . . . . 0.0 111.784 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.787 HD12 ' C ' ' A' ' 56' ' ' CYS . 2.8 mp -143.44 143.98 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.138 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG12 ' HB3' ' A' ' 35' ' ' GLU . 46.8 t -157.18 134.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.06 0.457 . . . . 0.0 110.833 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.95 -135.41 2.12 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.531 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.606 ' O ' ' HB3' ' A' ' 61' ' ' ASN . 39.5 ptt180 -174.81 29.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.616 ' HA ' HG12 ' C' ' 8' ' ' VAL . 10.9 p-10 161.27 85.8 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.481 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.631 ' HE2' HG21 ' A' ' 57' ' ' ILE . 4.1 p90 -168.66 138.56 2.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.597 -179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.9 135.74 16.19 Favored Glycine 0 N--CA 1.451 -0.301 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.5 t -128.92 146.77 50.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.762 0.781 . . . . 0.0 112.861 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 24.3 t80 -153.07 123.4 7.12 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.937 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.591 HG12 ' N ' ' A' ' 67' ' ' THR . 47.1 t -158.03 165.52 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.339 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.509 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.591 ' N ' HG12 ' A' ' 66' ' ' VAL . 92.1 m -110.38 151.83 26.99 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.45 ' CD2' ' OG1' ' C' ' 4' ' ' THR . 27.4 p80 -164.22 148.09 9.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.132 0.491 . . . . 0.0 112.22 -178.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.16 144.0 57.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.083 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.803 HG23 ' N ' ' C' ' 1' ' ' MET . 58.2 p -55.84 148.98 15.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.685 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 62.79 37.59 12.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.796 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' HB3' ' HG3' ' A' ' 87' ' ' LYS . 66.0 m80 -156.13 49.87 0.51 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.938 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.767 ' HE1' HD11 ' A' ' 84' ' ' LEU . 29.3 t80 -144.96 143.14 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.988 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.755 ' O ' HD12 ' A' ' 84' ' ' LEU . 12.2 tt -161.19 139.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.323 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' OH ' HG22 ' C' ' 8' ' ' VAL . 41.0 t80 -143.28 134.43 25.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.65 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.991 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -167.71 138.14 2.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.976 0.417 . . . . 0.0 111.848 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 6' ' ' ALA . 7.0 m-85 -85.69 145.05 27.47 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.914 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.053 HD22 ' HB2' ' A' ' 6' ' ' ALA . 52.9 tp -170.19 145.37 2.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.55 39.74 75.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.439 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 54.18 38.27 28.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.88 0.372 . . . . 0.0 110.809 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 78' ' ' LEU . 27.7 m -156.93 131.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.13 132.27 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.437 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.3 mt -116.82 131.81 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.767 HD11 ' HE1' ' A' ' 73' ' ' PHE . 55.7 tp -137.83 143.63 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.6 HD13 ' SG ' ' A' ' 56' ' ' CYS . 56.6 tp -154.9 143.47 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.983 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.58 ' CE1' HG11 ' A' ' 66' ' ' VAL . 12.2 p90 -179.89 130.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -100.09 170.62 8.35 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.204 0.526 . . . . 0.0 111.82 -178.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.0 t -139.51 137.36 35.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.04 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.488 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtm . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.765 0.317 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.3 p -178.25 45.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -59.6 133.17 55.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' B' ' 5' ' ' LYS . 2.2 tmt_? -177.03 128.06 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.193 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.602 ' N ' ' HD3' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -165.34 -135.52 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.39 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.587 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 73.29 131.11 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.746 0.308 . . . . 0.0 111.071 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.551 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.4 m -93.08 136.74 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 120.916 0.389 . . . . 0.0 111.669 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.938 HG12 ' HB2' ' B' ' 11' ' ' ALA . 8.5 tp -82.4 143.35 12.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.139 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.1 mmmt -112.3 -40.43 4.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.68 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -123.18 -51.59 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.938 ' HB2' HG12 ' B' ' 8' ' ' ILE . . . 63.34 129.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.704 0.288 . . . . 0.0 110.666 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -178.94 64.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.042 0.448 . . . . 0.0 110.594 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.412 ' HG2' ' HB2' ' B' ' 17' ' ' MET . 50.3 ttm -177.21 153.48 0.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.616 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 54.4 m -42.73 140.5 1.3 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 111.637 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.493 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 95.0 mt-10 -50.2 -49.42 52.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.867 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.537 ' HA ' ' HG2' ' B' ' 19' ' ' GLN . 24.6 pt-20 -58.2 -43.58 87.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.534 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.419 ' HG2' ' CE2' ' B' ' 50' ' ' TYR . 60.7 mtt -65.09 -45.74 83.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.172 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.86 ' O ' HG23 ' B' ' 22' ' ' VAL . 16.8 pt20 -66.73 -38.87 87.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.383 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' B' ' 16' ' ' GLU . 19.1 pt20 -72.6 -37.28 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.286 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.403 ' OD2' ' CZ ' ' B' ' 46' ' ' PHE . 36.3 t70 -70.11 -35.61 74.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.248 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -67.92 -45.03 75.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.86 HG23 ' O ' ' B' ' 18' ' ' GLN . 60.2 t -63.68 -46.71 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.322 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -66.59 -42.77 86.45 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.079 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -62.51 -34.07 76.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.901 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 1.04 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -69.88 -38.54 76.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.182 0.515 . . . . 0.0 109.948 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -62.53 -47.17 85.06 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.405 ' HB3' ' NZ ' ' B' ' 31' ' ' LYS . 84.7 mt-30 -59.74 -40.11 87.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.284 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' B' ' 41' ' ' HIS . . . -58.01 -46.25 85.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.766 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 1.025 HD21 HD11 ' B' ' 38' ' ' ILE . 46.3 mt -58.24 -42.81 87.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 110.574 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -64.78 -28.32 69.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.155 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.497 ' HD2' ' CE1' ' B' ' 41' ' ' HIS . 62.6 mttp -81.16 -46.82 14.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.68 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.424 ' CD2' ' OD2' ' B' ' 37' ' ' ASP . 84.2 m-85 -120.79 -39.72 2.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.655 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' B' ' 29' ' ' LEU . 49.5 t30 67.74 47.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.122 0.486 . . . . 0.0 110.023 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.455 ' O ' HG13 ' B' ' 38' ' ' ILE . 61.6 mt -143.67 133.44 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.606 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.685 ' CD ' HG12 ' B' ' 58' ' ' VAL . 3.4 mm-40 -46.39 -51.02 15.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.45 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -57.07 -56.55 20.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.657 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.424 ' OD2' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -52.82 -43.21 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.31 -179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 1.025 HD11 HD21 ' B' ' 29' ' ' LEU . 82.0 mt -48.19 -43.36 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.962 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 65' ' ' TYR . . . -63.07 -34.08 76.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.242 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.95 91.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.323 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.497 ' CE1' ' HD2' ' B' ' 31' ' ' LYS . 60.5 m-70 -64.49 -58.48 6.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.09 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 1.04 HD11 ' HB2' ' B' ' 25' ' ' ALA . 60.2 mt -64.61 -43.86 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.46 ' C ' ' HD3' ' B' ' 43' ' ' LYS . 1.1 tmtp? -64.04 -56.64 13.53 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.21 -51.31 69.52 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' B' ' 41' ' ' HIS . 5.2 mm-40 -55.08 -47.05 75.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.34 . . . . 0.0 111.585 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.403 ' CZ ' ' OD2' ' B' ' 20' ' ' ASP . 5.6 m-85 -73.31 -41.22 63.8 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 0.8 OUTLIER -59.97 -39.36 85.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.921 0.391 . . . . 0.0 110.876 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -70.51 -43.89 68.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -82.29 -66.55 0.88 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 6.9 m-30 -73.42 -16.05 61.33 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 60.8 m-20 92.32 140.87 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 C-N-CA 122.813 0.445 . . . . 0.0 110.709 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.43 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 39.4 Cg_endo -66.67 171.08 11.36 Favored 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 122.555 2.17 . . . . 0.0 112.825 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.43 ' HA ' ' CB ' ' B' ' 52' ' ' PRO . 12.2 t -115.67 123.98 49.73 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 122.732 0.413 . . . . 0.0 110.915 0.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.661 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 24.1 m95 -91.6 126.82 36.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.494 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 28.5 m-70 -95.61 136.58 35.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.486 -0.779 . . . . 0.0 108.96 178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.723 ' O ' HD13 ' B' ' 57' ' ' ILE . 50.0 t -142.38 142.63 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.51 0.671 . . . . 0.0 112.453 -178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.723 HD13 ' O ' ' B' ' 56' ' ' CYS . 34.3 mm -144.23 146.06 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.261 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.685 HG12 ' CD ' ' B' ' 35' ' ' GLU . 48.5 t -154.96 138.17 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.867 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 178.64 -141.17 4.84 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.76 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 76.3 mtp180 -154.21 27.3 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 36.4 t30 164.68 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 122.684 0.394 . . . . 0.0 110.116 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.494 ' CE2' ' CG2' ' B' ' 57' ' ' ILE . 3.3 p90 -156.18 130.75 8.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.133 0.492 . . . . 0.0 111.693 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -110.98 137.67 14.46 Favored Glycine 0 C--O 1.229 -0.2 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.63 ' HB3' HG23 ' A' ' 57' ' ' ILE . 78.1 p -163.39 167.84 21.16 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' D' ' 4' ' ' THR . 11.2 m-85 -130.86 145.78 52.1 Favored 'General case' 0 C--N 1.339 0.151 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.132 179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.652 ' O ' ' HA ' ' D' ' 3' ' ' ASP . 21.6 t -158.28 161.17 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.837 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.662 HG21 ' OG1' ' A' ' 53' ' ' THR . 8.9 t -112.45 156.31 22.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.454 ' CE1' ' HE3' ' D' ' 2' ' ' LYS . 22.7 p80 -167.78 146.69 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -62.03 148.2 44.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.007 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.619 HG22 ' HD2' ' D' ' 2' ' ' LYS . 76.3 p -54.74 151.7 8.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.451 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.605 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.9 mmpt? 61.01 39.38 16.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.32 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.429 ' CE1' ' HD3' ' B' ' 87' ' ' LYS . 90.9 m-70 -157.47 69.59 0.56 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.583 ' HA ' ' HB3' ' B' ' 86' ' ' PHE . 42.1 t80 -163.77 138.32 5.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.514 HG22 ' O ' ' B' ' 85' ' ' LEU . 11.4 tt -161.19 138.2 2.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.201 0.524 . . . . 0.0 111.668 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.563 ' O ' HD12 ' B' ' 8' ' ' ILE . 3.9 t80 -141.48 137.82 32.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.436 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.739 ' CE2' HG22 ' B' ' 22' ' ' VAL . 7.3 p90 -170.3 142.42 2.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.941 0.4 . . . . 0.0 112.024 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.486 ' CE2' ' HD2' ' D' ' 10' ' ' ARG . 42.7 m-85 -79.67 148.81 31.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.416 179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.644 ' O ' HG22 ' B' ' 81' ' ' VAL . 40.2 tp -165.92 138.87 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.47 40.51 69.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.353 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 57.14 37.77 28.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.785 0.326 . . . . 0.0 110.928 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.644 HG22 ' O ' ' B' ' 78' ' ' LEU . 33.5 m -156.4 137.33 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.459 ' HB3' ' HE1' ' B' ' 62' ' ' PHE . . . -73.54 132.72 43.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.402 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.18 142.19 35.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.553 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.443 HD13 ' HD2' ' B' ' 75' ' ' TYR . 58.2 tp -138.87 137.33 36.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.147 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.9 HD22 HG21 ' B' ' 42' ' ' ILE . 50.8 tp -152.23 138.52 18.43 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -177.89 124.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.661 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 14.1 ptmm? -87.05 170.39 11.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.29 0.567 . . . . 0.0 112.337 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 48.2 m -154.58 131.11 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.632 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.508 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.803 ' N ' HG23 ' A' ' 70' ' ' THR . 66.8 mtm . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 120.823 0.344 . . . . 0.0 111.356 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.401 ' O ' ' CD2' ' A' ' 68' ' ' HIS . 65.4 mttp -157.3 137.62 12.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.185 0.517 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.553 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 46.0 p-10 -87.37 124.37 33.32 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.17 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 66' ' ' VAL . 24.1 m -76.14 148.43 37.82 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.276 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.57 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -158.68 127.61 1.89 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.395 -0.907 . . . . 0.0 112.397 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.949 HD13 HG23 ' C' ' 8' ' ' VAL . 2.7 pp -160.29 140.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.063 0.459 . . . . 0.0 111.348 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.402 ' NE2' ' CG2' ' B' ' 34' ' ' ILE . 50.2 tt0 -103.93 83.94 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.641 -179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.949 HG23 HD13 ' C' ' 6' ' ' ILE . 58.6 t -78.44 141.25 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.795 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.648 -0.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.412 ' HG2' ' HB3' ' A' ' 61' ' ' ASN . 26.4 mmm180 61.85 45.11 7.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -83.67 45.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.37 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -87.02 44.94 1.21 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.719 0.295 . . . . 0.0 111.028 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -160.56 -43.77 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.017 0.436 . . . . 0.0 110.674 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.73 -119.25 0.55 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.257 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -153.83 -46.05 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.76 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -71.39 -48.03 52.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.768 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -68.65 -48.63 63.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.074 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.902 -179.808 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.431 ' HE1' ' HB ' ' A' ' 53' ' ' THR . 83.5 mtp . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.764 0.316 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.619 ' HD2' HG22 ' B' ' 70' ' ' THR . 28.1 mtpp -67.47 146.6 53.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.621 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.652 ' HA ' ' O ' ' B' ' 66' ' ' VAL . 1.8 p30 -149.06 111.41 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.163 0.506 . . . . 0.0 111.769 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.487 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.7 t -74.64 148.55 40.57 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.886 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.627 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -149.9 129.28 2.94 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.215 -0.993 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.843 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.5 pp -160.24 138.71 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 0.0 111.775 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.485 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 23.6 pt20 -117.79 80.56 1.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.13 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.541 HG22 ' OH ' ' B' ' 75' ' ' TYR . 29.0 t -69.58 141.04 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.928 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 12.2 p-10 -177.05 54.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.486 ' HD2' ' CE2' ' B' ' 77' ' ' TYR . 55.1 mtp85 -61.31 134.11 56.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.884 0.373 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.421 ' HB2' ' HD2' ' D' ' 15' ' ' LYS . 12.1 p-10 -85.13 50.96 2.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.001 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 87.0 mt -76.94 53.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.735 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -173.97 41.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.396 . . . . 0.0 111.235 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.83 44.15 87.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.292 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' D' ' 15' ' ' LYS . 3.4 mmmp? 58.26 57.52 3.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 111.315 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' D' ' 17' ' ' HIS . 80.2 p -168.5 140.39 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.074 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' D' ' 16' ' ' SER . 90.1 m-70 69.52 -52.44 0.61 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.772 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.929 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 2' ' ' CYS . 26.1 ptm . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.745 0.307 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 1' ' ' MET . 26.9 p -178.12 -41.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 63.23 131.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.517 ' HG3' HG21 ' A' ' 26' ' ' THR . 10.4 mpt_? 61.88 135.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 58.7 mttm -62.78 -124.43 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 70.08 123.52 0.03 OUTLIER 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 28.2 m -87.41 139.05 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.432 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -84.13 117.7 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.212 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -76.14 -46.03 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.573 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -159.7 107.22 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.724 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.48 148.22 27.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.511 ' HB3' ' HB3' ' A' ' 73' ' ' PHE . 9.8 t70 -165.87 59.01 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 111.072 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.6 ptp 179.38 -163.18 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -68.39 137.28 54.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.756 0.312 . . . . 0.0 110.856 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -56.91 -43.83 81.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.67 -44.24 93.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.01 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.6 mtp -58.01 -43.58 86.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.947 0.403 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.709 ' O ' HG23 ' A' ' 22' ' ' VAL . 62.8 mt-30 -59.42 -45.77 90.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.98 -44.43 96.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.917 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -63.77 -37.78 88.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -67.73 -44.01 78.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.171 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.709 HG22 ' CE2' ' A' ' 76' ' ' PHE . 59.8 t -65.8 -45.57 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.544 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.43 -41.59 84.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.218 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.66 -34.19 77.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.042 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.961 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -70.42 -40.5 73.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.274 0.559 . . . . 0.0 109.787 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.517 HG21 ' HG3' ' A' ' 4' ' ' ARG . 94.6 m -57.38 -45.27 84.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.061 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.589 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 25.9 mt-30 -60.53 -44.56 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.476 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' NE2' ' A' ' 41' ' ' HIS . . . -50.46 -40.31 50.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.981 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.806 HD23 HD11 ' A' ' 38' ' ' ILE . 61.8 mt -65.33 -51.54 59.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.0 -29.28 66.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.858 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HD3' ' O ' ' A' ' 27' ' ' GLN . 11.5 mptt -82.04 -32.25 30.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.931 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -133.71 -43.91 0.82 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.008 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' OD1' ' O ' ' A' ' 33' ' ' ASN . 22.9 t-20 66.53 49.62 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.066 0.46 . . . . 0.0 110.348 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.582 ' O ' HG13 ' A' ' 38' ' ' ILE . 57.2 mt -149.45 114.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.183 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' OE2' ' HA2' ' A' ' 59' ' ' GLY . 50.6 mt-10 -43.45 -49.25 7.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.764 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.482 ' HD3' ' HB3' ' D' ' 7' ' ' GLN . 33.8 ttpt -56.88 -56.94 15.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.539 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' OD2' HD12 ' A' ' 34' ' ' ILE . 59.5 m-20 -58.26 -43.73 88.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.056 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.806 HD11 HD23 ' A' ' 29' ' ' LEU . 85.1 mt -47.98 -53.23 5.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.978 0.418 . . . . 0.0 111.383 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -64.63 -34.63 78.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -67.19 -60.32 2.7 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.571 ' NE2' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -59.97 -43.79 94.86 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.507 -178.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.961 HD11 ' HA ' ' A' ' 25' ' ' ALA . 77.7 mt -58.56 -54.52 32.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HD3' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -58.83 -32.78 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.201 -179.466 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.664 ' HA ' ' OD2' ' A' ' 47' ' ' ASP . 59.0 mtpt -65.82 -47.1 76.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.492 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -61.3 -42.73 99.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.798 0.332 . . . . 0.0 110.969 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.451 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 10.0 m-85 -71.11 -42.41 69.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.664 ' OD2' ' HA ' ' A' ' 44' ' ' LYS . 4.2 p30 -64.4 -31.78 73.13 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -73.81 -40.46 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.134 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -82.68 -50.82 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.533 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 2.8 m-85 -88.37 -15.34 35.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 40.4 t30 94.13 134.32 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.572 0 C-N-CA 122.849 0.459 . . . . 0.0 110.343 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 15.8 Cg_endo -56.83 167.59 2.93 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.723 2.282 . . . . 0.0 112.797 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.2 t -114.73 134.62 54.95 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 122.741 0.416 . . . . 0.0 111.012 0.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.585 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 32.0 m95 -101.16 128.97 47.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.229 0.538 . . . . 0.0 112.451 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.469 ' CE1' HG23 ' A' ' 53' ' ' THR . 16.1 m-70 -104.06 136.87 42.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 178.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 38.6 t -144.12 152.43 40.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.418 HD11 HD11 ' B' ' 57' ' ' ILE . 58.6 mt -148.19 150.51 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.976 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 61.8 t -154.94 132.18 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 0.0 110.997 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.424 ' HA2' ' OE2' ' A' ' 35' ' ' GLU . . . -178.16 -133.03 1.8 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.315 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.567 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 8.3 ptm180 -176.36 41.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.567 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER 157.71 85.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.706 ' CZ ' HG21 ' C' ' 8' ' ' VAL . 18.4 p90 -172.72 139.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.314 0.578 . . . . 0.0 112.495 -178.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.506 ' O ' HG23 ' B' ' 57' ' ' ILE . . . -88.73 132.87 11.47 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.3 m -125.66 142.26 51.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.451 0.626 . . . . 0.0 112.605 -178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -149.0 121.79 8.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.845 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.572 ' O ' ' N ' ' C' ' 4' ' ' THR . 25.2 t -158.82 163.85 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.853 -177.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.679 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 44.1 p -95.63 165.39 12.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 86' ' ' PHE . 23.7 p80 -167.66 143.67 4.06 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.7 144.95 45.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.504 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 73.0 p -53.84 147.45 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.618 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 74.2 mmtt 61.29 36.61 17.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.472 ' CE1' ' CE ' ' A' ' 87' ' ' LYS . 83.0 m-70 -155.06 54.56 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.326 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.511 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . 1.4 t80 -145.9 137.05 24.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.393 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.676 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.9 tt -160.45 141.2 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 121.071 0.462 . . . . 0.0 111.704 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.735 ' HD2' HD13 ' A' ' 84' ' ' LEU . 3.8 t80 -145.68 141.01 27.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.814 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.709 ' CE2' HG22 ' A' ' 22' ' ' VAL . 2.1 p90 -169.18 138.81 2.13 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.047 0.451 . . . . 0.0 112.148 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -88.19 154.25 20.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.356 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 6' ' ' ALA . 34.5 tp -154.97 131.03 10.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.015 0.436 . . . . 0.0 111.498 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 80' ' ' GLN . . . 65.5 -81.56 0.08 OUTLIER Glycine 0 CA--C 1.504 -0.627 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 79' ' ' GLY . 77.9 mt-30 -162.5 40.94 0.12 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.934 0.397 . . . . 0.0 110.114 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.38 133.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.194 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.66 ' HB1' ' OH ' ' A' ' 75' ' ' TYR . . . -76.38 137.77 40.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.463 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 56.7 mt -122.12 142.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.734 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.735 HD13 ' HD2' ' A' ' 75' ' ' TYR . 46.5 tp -143.49 139.35 29.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.07 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.429 ' O ' HG22 ' A' ' 74' ' ' ILE . 60.0 tp -152.26 141.57 21.5 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.459 ' CD2' ' HB3' ' A' ' 68' ' ' HIS . 27.9 p90 -177.11 132.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.76 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 62.8 pttt -97.12 170.4 9.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 m -146.37 135.71 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.796 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.403 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.425 ' O ' ' HG2' ' B' ' 1' ' ' MET . 50.9 ttp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.971 0.415 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 53.9 t -177.54 133.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.025 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 62.27 126.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.404 ' CB ' HG12 ' B' ' 22' ' ' VAL . 37.2 mmt180 50.25 32.15 5.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.226 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.61 ' N ' ' HD3' ' B' ' 5' ' ' LYS . 0.0 OUTLIER 49.9 -136.22 1.21 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.21 -179.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.688 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . 59.27 129.24 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.769 0.319 . . . . 0.0 111.519 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 30.6 m -95.2 136.24 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-O 120.946 0.403 . . . . 0.0 111.384 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' B' ' 11' ' ' ALA . 1.5 mp -88.5 130.27 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.402 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.433 ' HG3' ' CE1' ' B' ' 75' ' ' TYR . 31.4 mmmt -86.63 -37.81 17.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.026 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -172.19 72.0 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.288 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' B' ' 8' ' ' ILE . . . -55.3 148.49 14.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.184 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' B' ' 73' ' ' PHE . 34.5 t70 -165.09 62.75 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.936 0.398 . . . . 0.0 111.343 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.494 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 21.2 ptm -178.13 -169.56 0.2 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' B' ' 17' ' ' MET . 59.5 m -64.33 141.27 58.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.433 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 24.5 pt-20 -59.16 -43.31 92.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.298 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.46 -37.96 87.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.068 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.494 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 65.3 mtt -66.42 -49.52 66.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.743 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.785 ' O ' HG23 ' B' ' 22' ' ' VAL . 17.4 pt20 -66.36 -40.42 89.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.695 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -70.8 -37.45 73.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.543 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.431 ' OD2' ' CE1' ' B' ' 46' ' ' PHE . 38.6 t70 -70.75 -33.56 70.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.276 179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -68.76 -46.44 68.79 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.896 HG22 ' CZ ' ' B' ' 76' ' ' PHE . 60.5 t -60.7 -47.02 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.276 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.98 -46.56 77.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.111 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.33 -32.95 74.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.759 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.908 ' HB2' HD11 ' B' ' 42' ' ' ILE . . . -67.28 -37.86 84.13 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.269 0.557 . . . . 0.0 109.671 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.2 m -62.34 -46.41 88.83 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.54 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -57.54 -44.63 85.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.513 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.405 ' CB ' ' HA ' ' B' ' 38' ' ' ILE . . . -56.37 -44.82 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.931 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 1.035 HD21 HD11 ' B' ' 38' ' ' ILE . 60.9 mt -58.12 -43.64 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.0 -31.2 71.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -80.36 -39.56 28.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.575 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' B' ' 37' ' ' ASP . 56.4 m-85 -127.71 -42.75 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.839 -179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 29' ' ' LEU . 23.4 t-20 70.23 50.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.437 ' O ' HG13 ' B' ' 38' ' ' ILE . 50.1 mt -147.62 131.4 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.523 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.406 ' HA ' HG11 ' B' ' 58' ' ' VAL . 10.8 pt-20 -46.6 -46.89 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.879 -179.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.98 -57.2 13.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.912 0.387 . . . . 0.0 111.304 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.439 ' HB3' ' CD2' ' B' ' 32' ' ' TYR . 1.5 m-20 -53.43 -43.02 67.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.966 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 1.035 HD11 HD21 ' B' ' 29' ' ' LEU . 75.2 mt -48.52 -40.6 11.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.903 0.382 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.98 77.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.096 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -49.78 69.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.544 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -63.85 -54.43 35.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.08 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' B' ' 25' ' ' ALA . 58.1 mt -58.55 -50.01 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.532 ' HD2' ' C ' ' B' ' 43' ' ' LYS . 0.0 OUTLIER -61.62 -55.25 32.73 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -57.91 -45.6 86.26 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -56.16 -47.11 78.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.578 ' HB3' ' CE2' ' B' ' 54' ' ' TRP . 38.0 m-85 -71.19 -45.04 64.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.433 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 1.0 OUTLIER -57.76 -31.89 66.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 0.0 110.76 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.54 ' O ' ' HD3' ' B' ' 48' ' ' LYS . 4.3 tmtt? -76.58 -41.82 44.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.042 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -85.66 -57.48 3.04 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' B' ' 51' ' ' ASN . 5.1 m-85 -84.51 -21.24 30.64 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' B' ' 50' ' ' TYR . 62.9 m-20 93.6 142.48 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.499 0 C-N-CA 122.644 0.378 . . . . 0.0 110.281 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 47.4 Cg_exo -56.21 168.83 1.78 Allowed 'Trans proline' 0 CA--C 1.533 0.43 0 C-N-CA 122.546 2.164 . . . . 0.0 113.123 -178.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.444 ' OG1' HG21 ' A' ' 67' ' ' THR . 15.2 t -118.51 120.08 36.45 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 121.039 0.447 . . . . 0.0 111.34 0.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.613 ' CD2' ' HB3' ' B' ' 87' ' ' LYS . 22.4 m95 -94.26 135.92 35.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.927 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.494 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 20.8 m-70 -111.13 139.43 46.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 51.1 t -140.61 154.21 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.415 0.626 . . . . 0.0 112.599 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.571 HD12 HD23 ' B' ' 84' ' ' LEU . 53.6 mt -149.23 143.24 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.452 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.469 HG11 HD12 ' B' ' 38' ' ' ILE . 49.0 t -144.31 133.25 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.117 0.484 . . . . 0.0 111.499 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' B' ' 60' ' ' ARG . . . 169.57 -135.12 3.43 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.879 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.999 ' HD2' HD23 ' D' ' 12' ' ' LEU . 52.3 ttm-85 175.04 46.94 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 110.925 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 38.7 t30 172.23 70.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.359 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 62' ' ' PHE . 19.9 p90 -168.11 143.63 3.74 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.13 135.44 12.22 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.4 m -136.91 147.23 46.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 118.102 0.951 . . . . 0.0 113.268 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -146.06 128.6 16.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.397 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.591 HG12 ' N ' ' B' ' 67' ' ' THR . 32.8 t -156.38 168.11 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.157 -177.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.7 ' HA ' ' HA ' ' D' ' 3' ' ' ASP . 90.3 m -108.65 150.37 27.63 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.527 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 26.6 p80 -161.75 143.63 11.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.273 0.559 . . . . 0.0 112.29 -178.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.16 149.63 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.931 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.603 HG23 ' N ' ' D' ' 1' ' ' MET . 74.9 p -53.03 152.74 3.88 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.383 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' B' ' 72' ' ' HIS . 34.2 mmtp 62.2 40.35 11.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.345 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' B' ' 86' ' ' PHE . 92.6 m-70 -158.29 69.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.745 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.49 ' HB3' ' HB3' ' B' ' 12' ' ' ASP . 2.1 t80 -153.07 129.4 10.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.877 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.679 HD12 ' CB ' ' B' ' 18' ' ' GLN . 10.5 tt -158.99 145.58 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.357 0.599 . . . . 0.0 111.966 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.647 ' HD2' HD13 ' B' ' 84' ' ' LEU . 3.8 t80 -156.79 133.89 10.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.09 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.896 ' CZ ' HG22 ' B' ' 22' ' ' VAL . 8.5 p90 -165.39 140.0 4.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.029 0.442 . . . . 0.0 112.183 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.972 ' CE1' ' HB2' ' B' ' 82' ' ' ALA . 46.9 m-85 -77.27 144.16 38.37 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.893 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' B' ' 6' ' ' ALA . 50.4 tp -170.19 140.69 1.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 55.87 39.82 79.16 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.303 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' B' ' 80' ' ' GLN . 0.4 OUTLIER 58.04 35.33 25.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.654 0.264 . . . . 0.0 111.118 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.471 HG13 ' O ' ' B' ' 80' ' ' GLN . 27.8 m -159.89 128.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.139 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.972 ' HB2' ' CE1' ' B' ' 77' ' ' TYR . . . -70.55 133.14 46.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.298 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.711 HD12 ' HE1' ' B' ' 76' ' ' PHE . 56.8 mt -110.4 138.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' B' ' 75' ' ' TYR . 58.4 tp -129.86 140.56 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.512 ' O ' HG22 ' B' ' 74' ' ' ILE . 61.2 tp -156.33 145.12 20.2 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.062 0.458 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' B' ' 55' ' ' HIS . 17.6 p90 178.05 129.16 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.381 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.613 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -99.9 170.44 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.159 0.504 . . . . 0.0 112.009 -178.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' B' ' 68' ' ' HIS . 25.4 m -145.83 137.79 25.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.896 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.64 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 91.9 mmm . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -156.79 122.8 4.87 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.679 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 2.5 p30 -170.21 127.82 0.85 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.502 0.667 . . . . 0.0 112.406 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.627 HG21 HD21 ' A' ' 84' ' ' LEU . 28.7 m -71.82 142.37 49.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.306 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.566 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -151.29 123.61 1.54 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.849 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.902 ' O ' HD12 ' C' ' 6' ' ' ILE . 2.8 pp -160.41 142.06 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.145 0.497 . . . . 0.0 112.092 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' C' ' 7' ' ' GLN . 2.9 pt20 -103.69 90.01 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.083 179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.706 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 40.6 t -69.51 134.91 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.054 0.454 . . . . 0.0 111.366 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.796 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.785 -0.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.794 ' NH2' HD22 ' C' ' 12' ' ' LEU . 28.5 mmm180 -64.59 133.58 52.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.513 ' H ' HD12 ' C' ' 12' ' ' LEU . 57.9 m-20 -159.55 35.16 0.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.175 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.794 HD22 ' NH2' ' C' ' 10' ' ' ARG . 4.7 mp -86.65 49.2 1.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.972 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -153.66 -43.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' C' ' 15' ' ' LYS . . . 64.52 35.36 91.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.328 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.409 ' CG ' ' O ' ' C' ' 14' ' ' GLY . 36.6 mtmm -161.78 135.47 6.52 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 52.2 m -58.73 113.23 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.703 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . 0.415 ' CD2' ' HE2' ' C' ' 18' ' ' LYS . 75.5 t60 177.24 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . 0.415 ' HE2' ' CD2' ' C' ' 17' ' ' HIS . 52.3 mtmt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.74 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.603 ' N ' HG23 ' B' ' 70' ' ' THR . 83.1 mtp . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 120.703 0.287 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.407 ' O ' ' CD2' ' B' ' 68' ' ' HIS . 65.0 mttp -157.48 138.34 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.109 0.48 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.7 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 42.1 p30 -84.67 126.72 33.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.058 -179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.55 HG22 ' HB ' ' B' ' 66' ' ' VAL . 14.8 t -71.35 148.09 47.37 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.328 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . 0.624 ' O ' HG23 ' D' ' 6' ' ' ILE . . . -152.07 123.18 1.43 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.293 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.917 ' O ' HD12 ' D' ' 6' ' ' ILE . 2.6 pp -161.49 142.3 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.143 0.497 . . . . 0.0 111.68 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.482 ' HB3' ' HD3' ' A' ' 36' ' ' LYS . 26.2 pt20 -116.23 131.3 56.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.746 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' B' ' 62' ' ' PHE . 81.9 t -131.15 137.55 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.222 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' B' ' 61' ' ' ASN . 34.8 t70 -165.15 116.42 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . 0.464 ' HA ' ' CD2' ' D' ' 17' ' ' HIS . 16.5 ptm180 -175.69 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.493 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' D' ' 13' ' ' ASP . 1.6 m-20 67.1 49.5 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.999 HD23 ' HD2' ' B' ' 60' ' ' ARG . 70.2 mt 70.71 -29.81 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' D' ' 11' ' ' ASP . 24.7 t70 62.86 145.71 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.03 -45.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.945 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -159.28 55.52 0.4 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.768 0.284 . . . . 0.0 111.446 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 80.1 p -172.64 -53.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.637 0.256 . . . . 0.0 111.628 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . 0.464 ' CD2' ' HA ' ' D' ' 10' ' ' ARG . 29.8 m80 -74.89 -45.22 44.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.188 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.821 -179.879 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.818 0.342 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.9 m -60.45 -44.2 96.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -59.1 132.76 55.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.787 ' HG3' HG21 ' A' ' 26' ' ' THR . 10.3 mpt_? 61.91 132.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 11.9 mptt -70.38 -117.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' A' ' 78' ' ' LEU . . . 67.13 122.76 0.02 OUTLIER 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.696 0.284 . . . . 0.0 111.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 76' ' ' PHE . 19.6 m -100.1 138.8 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.615 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -92.58 129.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.323 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 74.8 mmtt -106.04 -33.39 7.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.297 179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -150.68 136.24 18.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.861 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.08 138.28 16.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 111.574 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -145.86 57.27 1.22 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.098 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.451 ' HE1' ' HB3' ' A' ' 17' ' ' MET . 21.6 ptm -163.12 160.8 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.873 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -43.5 141.31 1.44 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.785 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 12.2 pt-20 -54.77 -45.09 74.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.578 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -60.29 -43.24 96.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.451 ' HB3' ' HE1' ' A' ' 13' ' ' MET . 85.3 mtp -61.28 -51.48 68.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.656 ' CB ' HD12 ' A' ' 74' ' ' ILE . 15.2 pt20 -60.49 -38.17 83.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -65.13 -44.34 89.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 110.182 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.49 -34.3 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.199 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.544 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -65.25 -44.0 89.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.283 0.563 . . . . 0.0 109.856 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 18' ' ' GLN . 60.7 t -66.28 -43.53 91.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.451 179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -65.45 -46.32 80.31 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 21' ' ' SER . 27.6 p -68.74 -31.01 69.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' CB ' HD11 ' A' ' 42' ' ' ILE . . . -68.01 -38.25 82.38 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.787 HG21 ' HG3' ' A' ' 4' ' ' ARG . 88.5 m -62.61 -46.56 87.68 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.368 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -57.16 -44.68 83.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.496 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 38' ' ' ILE . . . -56.59 -45.18 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.945 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.986 HD21 HD11 ' A' ' 38' ' ' ILE . 54.7 mt -57.84 -43.93 86.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.242 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -67.52 -30.56 70.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.397 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HD2' ' CE1' ' A' ' 41' ' ' HIS . 99.5 mttt -79.7 -36.37 37.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.556 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 59.3 m-85 -132.91 -42.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 49.5 t30 68.52 49.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 0.0 110.569 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 38' ' ' ILE . 43.7 mt -143.33 142.77 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.678 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.51 ' HG2' ' HA2' ' A' ' 59' ' ' GLY . 4.9 mp0 -49.55 -55.05 14.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.729 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -58.96 -53.13 61.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.398 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.427 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.3 m-20 -50.51 -44.22 56.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.678 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.986 HD11 HD21 ' A' ' 29' ' ' LEU . 75.4 mt -52.53 -41.84 37.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.75 ' HB1' ' HB3' ' B' ' 65' ' ' TYR . . . -64.03 -34.67 78.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.202 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.24 72.76 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.879 0.371 . . . . 0.0 111.395 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 76.5 m-70 -66.31 -55.92 13.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.867 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.566 HD11 ' CB ' ' A' ' 25' ' ' ALA . 60.3 mt -55.71 -51.13 62.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.066 -178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.481 ' HE2' ' CE1' ' B' ' 65' ' ' TYR . 0.1 OUTLIER -59.65 -52.09 67.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.842 -178.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 68.0 mttm -63.78 -51.34 65.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 24' ' ' CYS . 93.6 mt-10 -52.13 -46.56 65.41 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.414 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.683 ' HB3' ' CE2' ' A' ' 54' ' ' TRP . 38.8 m-85 -75.41 -46.89 30.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.649 0.261 . . . . 0.0 111.343 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 51' ' ' ASN . 5.5 t70 -52.54 -36.92 56.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.925 0.393 . . . . 0.0 110.777 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -85.82 -42.0 14.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -75.25 -61.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.508 ' O ' ' CB ' ' A' ' 51' ' ' ASN . 3.6 m-85 -84.1 -17.63 39.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.203 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 63.8 m-20 93.65 148.19 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 O-C-N 123.431 0.457 . . . . 0.0 109.821 -179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.3 167.88 5.58 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 121.917 1.745 . . . . 0.0 112.138 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 12.4 t -116.29 126.99 54.32 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.915 0.486 . . . . 0.0 110.605 0.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.683 ' CE2' ' HB3' ' A' ' 46' ' ' PHE . 23.5 m95 -105.4 134.45 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' HB2' ' CE1' ' A' ' 86' ' ' PHE . 20.7 m-70 -110.26 139.61 45.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.188 178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.5 t -137.74 151.92 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 112.199 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.484 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 59.1 mt -149.53 145.49 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.032 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 82' ' ' ALA . 51.3 t -156.17 138.96 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.321 . . . . 0.0 110.936 -179.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.51 ' HA2' ' HG2' ' A' ' 35' ' ' GLU . . . 179.29 -137.39 3.13 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.459 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 55.5 ttp180 -174.42 39.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.787 0.327 . . . . 0.0 110.783 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.627 ' HB2' ' O ' ' A' ' 60' ' ' ARG . 24.1 t-20 157.92 83.34 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.957 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' B' ' 62' ' ' PHE . 21.4 p90 -173.16 136.08 0.62 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.2 0.524 . . . . 0.0 112.354 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' C' ' 7' ' ' GLN . . . -86.88 135.28 13.11 Favored Glycine 0 CA--C 1.518 0.246 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.349 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.451 ' HB2' HD11 ' C' ' 6' ' ' ILE . 28.6 m -129.3 144.16 51.12 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 117.346 0.573 . . . . 0.0 112.239 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.52 ' CE2' ' HD3' ' B' ' 43' ' ' LYS . 11.9 t80 -145.2 126.55 14.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.021 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.621 HG12 ' N ' ' A' ' 67' ' ' THR . 39.9 t -157.95 168.53 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.51 -177.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.687 ' HA ' ' HA ' ' C' ' 3' ' ' ASP . 91.2 m -118.95 151.49 38.08 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 73' ' ' PHE . 26.5 p80 -167.13 143.48 4.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.619 0.247 . . . . 0.0 111.333 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' OE2' ' CE1' ' A' ' 72' ' ' HIS . 11.9 pt-20 -65.06 150.79 47.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.792 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.72 HG23 ' N ' ' C' ' 1' ' ' MET . 72.6 p -53.9 149.95 8.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.587 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.729 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 68.8 36.57 2.62 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.415 -179.553 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.436 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 60.6 m80 -158.37 65.16 0.44 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.771 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.589 ' HE1' HD11 ' A' ' 84' ' ' LEU . 37.1 t80 -164.17 140.37 6.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.85 ' O ' HD12 ' A' ' 84' ' ' LEU . 10.1 tt -161.43 138.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.151 0.501 . . . . 0.0 111.617 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -142.01 137.97 31.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.93 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 8.8 p90 -166.16 139.78 4.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.061 0.458 . . . . 0.0 112.027 -179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.487 ' CE1' ' HB2' ' A' ' 82' ' ' ALA . 61.8 m-85 -80.32 146.13 31.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.556 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 6' ' ' ALA . 47.8 tp -170.16 143.89 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 111.35 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.97 41.45 92.17 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.336 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.569 ' HA ' HD22 ' C' ' 12' ' ' LEU . 70.3 mt-30 55.26 34.37 22.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.749 0.309 . . . . 0.0 110.721 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 80' ' ' GLN . 30.6 m -159.3 137.8 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.487 ' HB2' ' CE1' ' A' ' 77' ' ' TYR . . . -69.89 144.97 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.404 HD12 ' HB3' ' A' ' 78' ' ' LEU . 59.1 mt -132.68 137.99 52.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.687 179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.85 HD12 ' O ' ' A' ' 74' ' ' ILE . 63.0 tp -132.72 145.74 51.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.349 -179.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.573 ' O ' HG22 ' A' ' 74' ' ' ILE . 60.6 tp -153.36 141.95 20.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.645 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . 6.1 p90 179.46 130.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.569 ' HD3' ' CE2' ' A' ' 54' ' ' TRP . 56.3 pttt -103.98 170.23 8.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.035 0.445 . . . . 0.0 111.355 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.2 t 58.4 35.74 24.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.616 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.15 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.334 179.833 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.815 0.341 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . 0.418 ' HB2' HG21 ' B' ' 26' ' ' THR . 27.2 p -59.46 136.95 58.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.408 ' HA ' ' CZ ' ' B' ' 4' ' ' ARG . 57.6 m-20 -158.05 44.8 0.32 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER 58.26 44.89 18.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -59.68 -38.36 81.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.646 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.714 ' HB2' HD13 ' B' ' 78' ' ' LEU . . . -47.52 130.14 13.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.927 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' B' ' 76' ' ' PHE . 24.5 m -94.79 136.69 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 121.018 0.437 . . . . 0.0 111.416 179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.63 HD12 ' N ' ' B' ' 8' ' ' ILE . 1.5 mp -86.29 136.66 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.264 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -117.09 -51.29 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -96.17 -79.87 0.44 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.492 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.591 ' HB2' ' CG2' ' B' ' 8' ' ' ILE . . . 58.2 131.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 112.157 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.44 ' OD2' ' HB3' ' B' ' 73' ' ' PHE . 12.4 p-10 -178.37 68.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.995 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.462 ' HE1' ' HB3' ' B' ' 17' ' ' MET . 19.8 ptm -169.73 178.67 3.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.379 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.1 p -51.16 136.33 24.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.444 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 50.4 mt-10 -53.58 -40.92 66.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.928 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -60.44 -46.4 90.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.519 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.462 ' HB3' ' HE1' ' B' ' 13' ' ' MET . 67.4 mtt -62.71 -49.95 73.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.754 0.312 . . . . 0.0 111.236 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.843 ' O ' HG23 ' B' ' 22' ' ' VAL . 18.7 pt20 -65.23 -37.53 87.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.886 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -70.88 -39.95 72.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.19 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -71.53 -35.41 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.546 179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.4 p -67.76 -41.6 83.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.293 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 18' ' ' GLN . 93.3 t -64.42 -47.84 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.634 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -68.73 -42.6 77.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.2 0.524 . . . . 0.0 110.059 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 t -66.12 -33.18 75.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.945 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.784 ' HA ' HD11 ' B' ' 42' ' ' ILE . . . -69.99 -39.06 76.14 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.162 0.505 . . . . 0.0 109.942 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.506 ' HA ' HD21 ' B' ' 78' ' ' LEU . 87.6 m -61.06 -46.35 91.04 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.507 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -60.74 -39.67 89.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.001 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.517 ' HB1' ' HA ' ' B' ' 38' ' ' ILE . . . -56.26 -45.65 79.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.22 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.819 ' CD2' HD11 ' B' ' 38' ' ' ILE . 52.3 mt -63.39 -47.11 83.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.927 0.394 . . . . 0.0 111.443 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -67.71 -30.57 70.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.494 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -87.59 -36.07 17.73 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -112.51 -43.69 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 m120 65.16 39.42 5.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.953 0.406 . . . . 0.0 110.41 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.558 ' O ' HG13 ' B' ' 38' ' ' ILE . 55.7 mt -152.41 128.86 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.605 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.486 ' HA ' HD12 ' B' ' 38' ' ' ILE . 24.1 pt-20 -49.48 -48.15 48.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.296 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' B' ' 35' ' ' GLU . 17.3 ttpp -59.31 -56.21 24.96 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -52.86 -41.99 64.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.819 HD11 ' CD2' ' B' ' 29' ' ' LEU . 85.6 mt -51.42 -52.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.033 0.444 . . . . 0.0 111.12 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' B' ' 56' ' ' CYS . . . -66.88 -30.33 70.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.591 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.472 ' HA ' ' CE2' ' A' ' 65' ' ' TYR . . . -66.36 -62.76 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . 0.515 ' NE2' ' HB2' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -66.1 -43.1 88.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.879 -178.463 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.784 HD11 ' HA ' ' B' ' 25' ' ' ALA . 79.9 mt -60.99 -44.52 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 65' ' ' TYR . 59.5 tttm -63.34 -53.55 50.84 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.702 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . 0.528 ' HD2' ' N ' ' B' ' 45' ' ' GLU . 0.0 OUTLIER -58.66 -32.8 69.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.664 0.268 . . . . 0.0 111.459 -179.232 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' B' ' 44' ' ' LYS . 5.5 tp10 -66.99 -49.08 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.838 0.352 . . . . 0.0 110.978 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.59 -39.1 74.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.425 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' B' ' 51' ' ' ASN . 17.6 m-20 -58.96 -41.44 87.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.048 0.451 . . . . 0.0 110.656 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -72.32 -42.22 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.665 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -81.45 -63.3 1.43 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.556 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 3.3 m-85 -82.03 -12.72 58.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 5.1 m120 91.01 140.61 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.501 0 C-N-CA 122.752 0.421 . . . . 0.0 110.479 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' B' ' 53' ' ' THR . 41.8 Cg_endo -66.93 171.68 10.81 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.543 2.162 . . . . 0.0 112.963 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.451 HG23 ' O ' ' B' ' 53' ' ' THR . 11.1 t -116.7 117.27 29.34 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 122.777 0.431 . . . . 0.0 111.213 0.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.682 ' HA ' ' HA ' ' B' ' 87' ' ' LYS . 21.6 m95 -88.02 119.85 28.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.914 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' B' ' 86' ' ' PHE . 29.0 m-70 -91.85 139.25 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.411 ' HB3' ' HB1' ' B' ' 39' ' ' ALA . 47.9 t -140.39 148.64 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.391 0.615 . . . . 0.0 112.557 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.559 HG21 ' CE2' ' B' ' 62' ' ' PHE . 52.8 mt -149.67 144.53 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.684 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.401 HG13 ' O ' ' B' ' 82' ' ' ALA . 60.6 t -152.54 139.71 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.967 0.413 . . . . 0.0 111.371 -179.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.86 -128.72 1.46 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.101 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' B' ' 61' ' ' ASN . 39.3 ptt180 -176.96 39.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.666 0.269 . . . . 0.0 111.426 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' B' ' 60' ' ' ARG . 1.0 OUTLIER 163.53 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.714 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' B' ' 57' ' ' ILE . 2.4 p90 -162.85 132.45 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' D' ' 7' ' ' GLN . . . -98.74 142.46 16.09 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 177.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -159.7 152.83 21.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 118.124 0.962 . . . . 0.0 113.279 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.75 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 3.7 t80 -133.88 135.0 43.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.759 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.56 HG12 ' N ' ' B' ' 67' ' ' THR . 33.0 t -156.69 165.47 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-O 120.604 0.24 . . . . 0.0 111.47 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.56 ' N ' HG12 ' B' ' 66' ' ' VAL . 59.2 m -112.17 155.43 23.96 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.461 ' CD2' ' HB ' ' D' ' 4' ' ' THR . 24.4 p80 -165.56 147.72 7.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.262 0.553 . . . . 0.0 112.49 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.447 ' HA ' ' N ' ' D' ' 1' ' ' MET . 5.4 tp10 -59.28 139.89 56.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.771 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -56.21 150.6 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.458 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.618 ' HA ' ' HE2' ' B' ' 71' ' ' LYS . 6.8 mmpt? 61.41 38.11 16.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' B' ' 71' ' ' LYS . 91.9 m-70 -158.34 69.01 0.49 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.555 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.874 ' CE1' HD11 ' B' ' 84' ' ' LEU . 48.1 t80 -162.51 140.25 8.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.117 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.735 HD12 ' CB ' ' B' ' 18' ' ' GLN . 10.9 tt -157.2 137.47 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.337 0.589 . . . . 0.0 111.975 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -135.52 137.8 42.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.374 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' B' ' 7' ' ' VAL . 8.6 p90 -167.47 141.37 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.436 -0.505 . . . . 0.0 112.155 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' B' ' 6' ' ' ALA . 56.5 m-85 -77.31 149.9 35.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.245 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' B' ' 6' ' ' ALA . 41.0 tp -167.37 138.68 3.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.909 0.385 . . . . 0.0 111.331 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . 0.422 ' HA3' HD13 ' B' ' 29' ' ' LEU . . . 53.93 39.95 63.96 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.37 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . 0.425 ' O ' HG13 ' B' ' 81' ' ' VAL . 99.0 mm-40 58.41 37.89 25.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.852 0.358 . . . . 0.0 111.057 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 78' ' ' LEU . 31.3 m -158.72 136.79 2.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.722 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.401 ' O ' HG13 ' B' ' 58' ' ' VAL . . . -69.83 137.45 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.506 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' B' ' 78' ' ' LEU . 51.3 mt -127.12 140.24 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.874 HD11 ' CE1' ' B' ' 73' ' ' PHE . 57.9 tp -137.47 141.82 41.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.991 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . . . . . . . . . 52.7 tp -156.12 142.22 18.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.708 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.529 ' HB3' ' HA ' ' B' ' 73' ' ' PHE . 5.6 p90 -177.28 127.17 0.15 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.045 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.682 ' HA ' ' HA ' ' B' ' 54' ' ' TRP . 0.0 OUTLIER -87.34 159.53 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.332 -179.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.4 m -144.53 138.43 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.526 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.72 ' N ' HG23 ' A' ' 70' ' ' THR . 22.4 ptp . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.682 0.277 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -153.16 136.03 15.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.138 0.494 . . . . 0.0 111.263 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ASP . . . . . 0.687 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 40.5 p30 -70.3 127.8 34.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.875 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' THR . . . . . 0.52 HG22 ' HB ' ' A' ' 66' ' ' VAL . 11.6 t -75.55 135.95 40.57 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.085 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . 0.561 ' O ' HG23 ' C' ' 6' ' ' ILE . . . -135.43 117.75 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.259 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.599 HD12 ' C ' ' C' ' 6' ' ' ILE . 2.5 pp -161.9 170.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.838 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' GLN . . . . . 0.414 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 3.0 pm0 -163.17 120.94 1.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 110.925 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' ' 60' ' ' ARG . 40.6 t -81.74 146.63 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.837 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . 0.799 ' C ' ' CB ' ' C' ' 9' ' ' ASP . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.022 -0.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ARG . . . . . 0.6 ' O ' ' HD3' ' C' ' 10' ' ' ARG . 0.0 OUTLIER -171.85 139.68 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.115 0.483 . . . . 0.0 111.525 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' A' ' 60' ' ' ARG . 1.5 m-20 -91.51 44.69 1.19 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.173 -179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.624 HD12 ' N ' ' C' ' 12' ' ' LEU . 4.1 mp 56.2 13.25 1.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.59 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 49.67 40.37 19.66 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.53 -60.44 0.65 Allowed Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.704 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 24.4 pttm 178.75 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 110.696 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 53.2 m -63.26 139.89 58.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.978 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' HIS . . . . . . . . . . . . . 25.5 m170 64.39 -137.26 0.28 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.507 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.996 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.447 ' N ' ' HA ' ' B' ' 69' ' ' GLU . 49.7 ttm . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -155.68 133.46 11.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.153 0.501 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' B' ' 65' ' ' TYR . 42.8 m-20 -90.83 118.9 30.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.576 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' THR . . . . . 0.554 HG22 ' HB ' ' B' ' 66' ' ' VAL . 13.6 t -80.5 141.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.05 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.9 135.39 7.13 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.42 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 47.1 pt -156.01 170.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.103 0.477 . . . . 0.0 111.544 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' GLN . . . . . 0.522 ' HA ' ' HA2' ' B' ' 63' ' ' GLY . 16.9 pt20 -159.95 69.48 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.426 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.67 142.07 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.307 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' D' ' 9' ' ' ASP . 9.8 t70 -172.97 43.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.696 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -92.25 -45.67 8.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.254 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' D' ' 13' ' ' ASP . 56.6 m-20 60.13 41.83 16.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.98 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.621 HD12 ' N ' ' D' ' 12' ' ' LEU . 4.2 mp 66.44 -12.11 0.21 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.571 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' D' ' 11' ' ' ASP . 15.1 m-20 60.45 -154.99 0.36 Allowed 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.61 -147.99 0.61 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.416 ' HD3' ' H ' ' D' ' 15' ' ' LYS . 0.0 OUTLIER -63.13 -43.45 98.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . 0.402 ' N ' ' HG2' ' D' ' 15' ' ' LYS . 52.7 m -66.59 136.23 55.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.037 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -78.59 51.41 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.274 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 56.0 tttp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.16 -0.924 . . . . 0.0 111.207 179.822 . . . . . . . . 0 0 . 1 stop_ save_